Institute for Materials Chemistry and Engineering, Kyushu University Yoshizawa Laboratory

• 2022
• 2021
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2022

501. "Comparative study of the ideal and actual adhesion interfaces of the die bonding structure using conductive adhesives"
     Naoaki Tsurumi, Yuta Tsuji, Taiki Baba, Hiroyuki Murata, Noriyuki Masago, and Kazunari Yoshizawa, J. Adhes. Sci. Tech, 98, 24-48 (2022).
     DOI:10.1080/00218464.2020.180795
502. "Halide-Adducts of OsO₄. Structure and Reactivity in Alcohol Oxidation"
     T. Fujimoto, Y. Hirata, H. Sugimoto, M. Miyanishi, Y. Shiota, K. Yoshizawa, and S. Itoh, Bull. Chem. Soc. Jpn, 95, 64-72 (2022).
     DOI:10.1246/bcsj.20210377
503. "Hydroboration and Hydrosilylation of a Molybdenum–Nitride Complex Bearing a PNP-type Pincer Ligand"
     Takayuki Itabashi, Kazuya Arashiba, Hiromasa Tanaka, Kazunari Yoshizawa, Yoshiaki Nishibayashi, Organometallics, 41, 366-373 (2022).
     DOI:10.1021/acs.organomet.1c00597
504. "Cubically cage-shaped mesoporous ordered silica for simultaneous visual detectiom and removal of uranium ions from contaminated seawater"
     D. A. Tolan, E. A. Elsheny, W. A. El-Said, T. Taketsugu, K. Yoshizawa, A. M. El-Nahas, A. R. Kamali, and A. M. Abdelkader, Microchim. Acta, 189, Article number:3 (2022)
     DOI:10.1007/s00604-021-05083-7
505. "Theoretical Investigation into Selective Benzene Hydroxylation by Ru-Substituted Keggin-Type Polyoxometala tes"
     K. Ikeda, K. Yoshizawa and Y. Shiota, Inorg. Chem., 61, 10-14 (2022)
     DOI:10.1021/acs.inorgchem.1c02605
506. "C(sp3)–H bond activation by carboxylate-adduct of osmium tetroxide (OsO₄)"
     T. Fujimoto, H. Sugimoto, M. Miyanishi, Y. Shiota, K. Yoshizawa and S. Itoh, Dalton Trans., 51, 1123-1130 (2022)
     DOI:10.1039/D1DT03819B
507. "Synthesis, redox properties, and catalytic hydrogen gas generation of porphycene cobalt complexes"
     Zihan Zhou, Taro Koide, Yoshihito Shiota, Yoshio Yano, Ning Xu, Toshikazu Ono, Hisashi Shimakoshi, Kazunari Yoshizawa and Yoshio Hisaeda, J. Porphyrins Phthalocyanines, 26, 263-272 (2022)
     DOI:10.1142/S108842462250016X
508. "Topology Dictates Magnetic and Conductive Properties of a π-Stacked System: Insight into Possible Coexistence of Magnetic and Conductive Systems"
     Y. Tsuji, K. Okazawa, K. Kurino, and K. YoshizawaJ. Phys. Chem. C, 126, 3244-3256 (2022). “Journal Cover”
     DOI:10.1021/acs.jpcc.1c10502
509. "Graph-theoretical exploration of the relation between conductivity and connectivity in heteroatom-containing single-molecule junctions"
     K. Okazawa. Y. Tsuji, andK. YoshizawaJ. Chem. Phys., 156, 091102/1-8 (2022).
     DOI:10.1063/5.0083486
510. "Heterointerface created on Au cluster-loaded unilamellar hydroxide electrocatalysts as highly an active site for oxygen evolution reaction"
     Sho Kitano, Masamichi Nishihara, Kazutaka Kamitani, Takeharu Sugiyama, Satoru Yoshioka, Tetsuya Miwa, Kazunari Yoshizawa, Aleksandar Staykov, and Miho Yamauchi, Adv. Mater., 34, 2110552/1-11 (2022).
     DOI:10.1002/adma.202110552
511. "Catalytic Reduction of Dinitrogen into Ammonia and Hydrazine Using Chromium Complexes Bearing PCP-Type Pincer Ligand"
     Y. Ashida, A. Egi, K. Arashiba, H. Tanaka, S. Kuriyama, K. Yoshizawa, Y. Nishibayashi, Chem. Eur. J., 28, e202200557 (2022).
     DOI:10.1002/chem.202200557
512. "Synthesis and Reactivity of Cobalt-Dinitrogen Complexes Bearing Anionic PCP-type Pincer Ligands toward Catalytic Silylamine Formation from Dinitrogen"
     S. Kuriyama, S. Wei, H. Tanaka, A. Konomi, K. Yoshizawa and Y. Nishibayashi, Inorg. Chem., 61, 5173-5177 (2022). “Journal Cover”
     DOI:10.1021/acs.inorgchem.2c00234
513. "Catalytic Reduction of Dinitrogen to Ammonia and Hydrazine Using Iron–Dinitrogen Complexes Bearing Anionic Benzene-Based PCP-type Pincer Ligands"
     Shogo Kuriyama, Takeru Kato, Hiromasa Tanaka, Asuka Konomi, Kazunari Yoshizawa and Yoshiaki Nishibayashi, Bull. Chem. Soc. Jpn., 95, 683-692 (2022). “BCSJ Award”
     DOI:10.1246/bcsj.20220048
514. "Mechanistic study on reduction of nitric oxide to nitrous oxide using a dicopper complex"
     Yohei Kametani, Tsukasa Abe, Kazunari Yoshizawa and Yoshihito Shiota, Dalton Trans., 51, 5399-5403 (2022). “Hot Article”
     DOI:10.1039/d2dt00275b
515. "Augmented Self-Association by Electrostatic Forces in Thienopyrrole-Fused Thiadiazoles that Contain an Ester instead of an Ether Linker"
     Shin-ichiro Kato, Yukako Naito, Ryo Moriguchi, Chitoshi Kitamura, Taisuke Matsumoto, Toshitada Yoshihara, Tsutomu Ishi-I, Yuka Nagata, Hiroki Takeshita, Kazunari Yoshizawa, Yoshihito Shiota, and Kazumasa Suzuki, Chem. Asian J., 17, e202101341/1-8 (2022).
     DOI:10.1002/asia.202101341
516. "Light-Driven Aerobic CH₄ Conversion to C₁ Chemicals by a Bis(µ-oxido) Ru₂ Complex"
     Tatsuya Nakano, Tsukasa Abe, Takahiro Matsumoto, Kento Kimura, Genta Nakamura, Shinya Hayami, Yoshihito Shiota, Kazunari Yoshizawa, and Seiji Ogo, RSC Adv., in press (2022).
     DOI:
517. "Homogeneous catalyst modifier for alkyne semi-hydrogenation: systematic screening in an automated flow reactor and computational study on mechanisms"
     Shusaku Asano, Samuel J Adams, Yuta Tsuji, Kazunari Yoshizawa, Atsushi Tahara, Jun-ichiro Hayashi, Nikolay Cherkasov, Reac. Chem. Eng., in press (2022).
     DOI:10.1039/d2re00147k
518. "Peel Adhesion Strength between Epoxy Resin and Hydrated Silica Surface: A Density Functional Theory Study"
     Yosuke Sumiya, Yuta Tsuji, and Kazunari Yoshizawa ACS Omega, 7 17393-17400 (2022).
     DOI:10.1021/acsomega.2c01544
519. "Theoretical Study on the Contribution of Interfacial Functional Groups to the Adhesive Interaction between Epoxy Resin and Aluminum Surface"
     Shin Nakamura, Satoru Yamamoto, Yuta Tsuji, Keiji Tanaka, and Kazunari Yoshizawa Langmuir, 38 6653-6664 (2022).
     DOI:10.1021/acs.langmuir.2c00529

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2021

476. "Arylene–hexaynylene and –octaynylene macrocycles: Extending the polyyne chains drives self-association by enhanced dispersion forces"
     S. Kato, R. Kumagai, T. Abe, C. Higuchi, Y. Shiota, K. Yoshizawa, N. Takahashi, K. Yamamoto, M. Z. Hossain, K. Hayashi, T. Hirose, and Y. Nakamura, Chem. Commun., 57, 576-579 (2021).
     "Out-side Front Cover"
     DOI:10.1039/D0CC07540J
477. "Attenuation of redox switching and rectification in Azulenequinones/ Hydroquinones after B and N doping: a first-principles investigation"
     E. A. Haidar, S. A. Tawfik, C. Stampfl, K. Hirao, K. Yoshizawa, T. Nakajima, K. A. Soliman, and A. M. El-Nahas, Adv. Theor. Simul., 4, 2000203/1-18 (2021).
     DOI:10.1002/adts.202000203
478. "From Infection Clusters to Metal Clusters: Significance of the Lowest Occupied Molecular Orbital (LOMO)"
     Y. Tsuji and K. Yoshizawa, ACS Omega, 6, 1339-1351 (2021).
     DOI:10.1021/acsomega.0c04913
479. "Oxygen Atom Insertion into Osmium–Carbon Bond via Organometallic Oxido-Osmium(V) Intermediate"
     H. Sugimoto, K. Aoki, M. Miyanishi, Y. Shiota, K. Yoshizawa, and S. Itoh, Organometallics, 40, 102-106 (2021).
     DOI:10.1021/acs.organomet.0c00772
480. "Electronic Origin of Catalytic Activity of TiH2 for Ammonia Synthesis"
     Y. Tsuji, K. Okazawa, Y. Kobayashi, H. Kageyama, and K. Yoshizawa, J. Phys. Chem. C, 125, 3948-3960 (2021).
     DOI:10.1021/acs.jpcc.0c10907
481. "Synthesis, spectral characterization, DFT studies, and biological screening of some transition metal complexes of a novel hydrazide-hydrazone ligand of isonicotinic acid"
     D. A. Tolan, T. I. Kashar, K. Yoshizawa, and A. M. El-Nahas, Appl. Organomet. Chem., 35, e6205 (2021).
     DOI:10.1002/aoc.6205
482. "Theoretical Study on the Adhesion Interaction between Epoxy Resin Including Curing Agent and Plated Gold Surface"
     Y. Tsuji, T. Baba, N. Tsurumi, H. Murata, N. Masago, and K. Yoshizawa, Langmuir, 37, 3982-3995 (2021).
     "Front Cover"
     DOI:10.1021/acs.langmuir.1c00285
483. "Mechanistic Insights into the Dicopper-Complex-Catalyzed Hydroxylation of Methane and Benzene Using Nitric Oxide: A DFT Study"
     T. Abe, Y. Kametani, K. Yoshizawa, and Y. Shiota, Inorg. Chem., 60, 4599-4609 (2021).
     DOI:10.1021/acs.inorgchem.0c03558
484. "One-Pot Synthesis of Tertiary Amides from Organic Trichlorides through Oxygen Atom Incorporation from Air by Convergent Paired Electrolysis"
     Z. Luo, K. Imamura, Y. Shiota, K. Yoshizawa, Y. Hisaeda, and H. Shimakoshi, J. Org. Chem., 86, 5983-5990 (2021).
     DOI:10.1021/acs.joc.1c00161
485. "Ammonia Formation Catalyzed by Dinitrogen-Bridged Dirhenium Complex Bearing PNP-Pincer Ligands under Mild Reaction Conditions"
     F. Meng, S. Kuriyama, H. Tanaka, A. Egi, K. Yoshizawa, and Y. Nishibayashi Angew. Chem. Int. Ed., 60, 13906-13912 (2021).
     DOI:10.1002/anie.202102175
486. "Mixed Anion Control of Partial Oxidation of Methane to Methanol on the β-PtO2 Surface"
     Y. Tsuji, K. Kurino, and K. Yoshizawa, ACS Omega, 6, 13858-13869 (2021).
     DOI:10.1021/acsomega.1c01476
487. "Effect of chemically induced permittivity changes on the plasmonic properties of metal nanoparticle"
     N. Saito, S. Ryuzaki, Y. Tsuji, Y. Noguchi, P. Wang, D. Tanaka, Y. Arima, K. Okamoto, K. Yoshizawa, and K. Tamada, Commun. Mater., 2, 1-8 (2021).
     DOI:10.1038/s43246-021-00159-6
488. "Bonding of C1 Fragments on Metal Nanoclusters: A Search for Methane Conversion Catalysts with Swarm Intelligence"
     M. Hori, Y. Tsuji, and K. Yoshizawa, Phys. Chem. Chem. Phys., 23, 14004-14015 (2021).
     DOI:10.1039/D1CP00345C
489. "Energy Decomposition Analysis of the Adhesive Interaction between an Epoxy Resin Layer and a Silica Surface"
     C. Higuchi and K. Yoshizawa, Langmuir, 37, 8417-8425 (2021).
     DOI:10.1021/acs.langmuir.1c00635
490. "Effect of electronic interactions and coordination spheres on ionic diffusion in La_xSr_1-xGa_yMg_1-yO_3-δ"
     Y. Zhao, J. Kliner, T. Ishihara, K. Yoshizawa, and A. Staykov, J. Phys. Chem. Solids, 161, 110393/1-9 (2021).
     DOI:10.1016/j.jpcs.2021.110393
491. "Distinct Behavior of Cu- and Ni-ZSM-5 Zeolites toward Methane Overoxidation: A DFT and Kinetic Study"
     M. H. Mahyuddin, S. Tanaka, R. Kitagawa, A. L. Maulana, A. G. Saputro, M. K. Agusta, H. T. Yudistira, H. K. Dipojono, and K. Yoshizawa, J. Phys. Chem. C, 125, 19333-19344 (2021).
     DOI:10.1021/acs.jpcc.1c06400
492. "Quadruple role of Pd catalyst in sequential reaction involving aryl to alkyl 1,5-Pd migration to access 1,9-bridged triptycenes"
     T. Iwata, S. Kumagai, T. Yoshinaga, M. Hanada, Y. Shiota, K. Yoshizawa, and M. Shindo, Chem. Eur. J., 27, 11548-11553 (2021).
     "Cover article"
     DOI:10.1002/chem.202101728
493. "Competition between Hydrogen Bonding and Dispersion Force in Water Adsorption and Epoxy Adhesion to Boron Nitride: From the Flat to the Curved"
     Y. Tsuji and K. Yoshizawa, Langmuir, 37, 11351-11364 (2021).
     DOI:10.1021/acs.langmuir.1c01935
494. "Theoretical Views on Catalytic Reaction Pathways for Nitrogen Fixation by Dinitrogen-Bridging Dimolybfenum Complexes"
     A. Egi, H. Tanaka, and K. Yoshizawa, J. Synth. Org. Chem. Jpn, 79, 1041-1049 (2021).
     DOI:10.5059/yukigoseikyokaishi.79.1041
495. "S,C,C- and O,C,C-Bridged Triarylamines and Their Persistent Radical Cations"
     S. Kataoka, S. Suzuki, Y. Shiota, K. Yoshizawa, M. Asano, T. Matsumoto, T. Yoshihara, C. Kitamura, and S. Kato, J. Org. Chem., 86, 12559-12568 (2021).
     DOI:10.1021/acs.joc.1c00969
496. "Manipulating electron redistribution to achieve exotic electronic pyroelectricity in molecular [FeCo] crystals"
     P. Sadhukhan, S. Wu, J. Long, T. Nakanishi, S. Kanegawa, K. Gao, K. Yamamoto, H. Okajima, A. Sakamoto, M. Baker, T. Kroll, D. Sokaras, A. Okazawa, N. Kojima, Y. Shiota, K. Yoshizawa, and O. Sato, Nat. Commun., 12, 4836/1-9 (2021).
     DOI:10.21203/rs.3.rs-241749/v1
497. "Electrochemical Synthesis of Cyanoformamides from the Trichloroacetonitrile and Secondary Amines Catalyzed by the B12 Complex"
     M. Mohammad, Y. Yano, T. Ono, K. Imamura, Y. Shiota, K. Yoshizawa, Y. Hisaeda, and H. Shimakosh, J. Org. Chem., 86, 16134–16143 (2021).
     DOI:10.1021/acs.joc.1c00837
498. "Tin(II)-Nitrene Radical Complexes Formed by Electron Transfer from Redox-Active Ligand to Organic Azides and Their Reactivity in C(sp3)–H Activation"
     H. Sugimoto, M. Yano, K. Sato, M. Miyanishi, K. Sugisaki, Y. Shiota, K. Yoshizawa, and S. Itoh, Inorg. Chem., 60, 18063–18607 (2021).
     DOI:10.1021/acs.inorgchem.1c02806
499. "Elucidation of Adhesive Interaction between Epoxy Molding Compound and Cu Lead Frames"
     N. Tsurumi, Y. Tsuji, N. Masago, and K. Yoshizawa, ACS. Omega., 6, 34173–34184 (2021).
     DOI:10.1021/acsomega.1c05914
500. "Molecular Dynamics Study on the Thermal Aspects of the Effect of Water Molecules at the Adhesive Interface on an Adhesive Structure"
     N. Tsurumi, Y. Tsuji, N. Masago, and K. Yoshizawa, Langmuir, 37, 14724–14732 (2021).
     DOI:10.1021/acs.langmuir.1c02653

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2020

442. "Iron Complex of a Quadruply Fused Porphyrin: Synthesis, Structure and Redox Properties"
     Tomoya Ishizuka, Keiyu Komamura, Yuta Saegusa, Shogo Tanaka, Yoshihito Shiota, Kazunari Yoshizawa, Takahiko Kojima, J. Porphyrins Phthalocyanins, 24 252-258, (2020).
     DOI:10.1142/S1088424619500846
443. "Computational Study on the Light-Induced Oxidation of Iridium-Aqua Complex to Iridium-Oxo Complex over WO3(001) Surface"
     K. Ikeda, M. H. Haris, Y. Shiota, A. Staykov, T. Matsumoto, S. Ogo, and K. Yoshizawa, Inorg. Chem., 59, 415-422 (2020).
     DOI:10.1021/acs.inorgchem.9b02704
444. "Room-Temperature Activation of Methane and Direct Formations of Acetic Acid and Methanol on Zn-ZSM-5 Zeolite"
     Muhammad Haris Mahyuddin, Seiya Tanaka, Yoshihito Shiota, and Kazunari. Yoshizawa, Bull. Chem. Soc. Jpn., 93, 345-354 (2020).
     "BCSJ Award"
     DOI:10.1246/bcsj.20190282
445. "Theoretical Study on the Electronic Structure of Heavy Alkali Metal Suboxides"
     Y. Tsuji, M. Hori, and K. Yoshizawa, Inorg. Chem., 59, 1340-1354 (2020).
     DOI:10.1021/acs.inorgchem.9b03046
446. "Understanding Single Molecule Parallel Circuits on the Basis of Frontier Orbital Theory"
     K. Okazawa, Y. Tsuji, K. Yoshizawa, J. Phys. Chem. C, 124, 3322-3331 (2020).
     DOI:10.1021/acs.jpcc.9b08595
447. "Mechanistic Study on Catalytic Disproportionation of Hydrazine by a Protic Pincer-Type Iron Complex through Proton-Coupled Electron Transfer"
     H. Tanaka, S. Hitaoka, K. Umehara, K. Yoshizawa, and S. Kuwata, Eur. J. Inorg. Chem., 2020, 1472-1482 (2020).
     DOI:10.1002/ejic.201901135
448. "Nitrogen Fixation Catalyzed by Dinitrogen-Bridged Dimolybdenum Complexes Bearing PCP- and PNP-Type Pincer Ligands: A Shortcut Pathway Deduced from Free Energy Profiles"
     A. Egi, H. Tanaka, A. Konomi, Y. Nishibatashi, and K. Yoshizawa, Eur. J. Inorg. Chem., 2020, 1490-1498 (2020).
     DOI:10.1002/ejic.201901160
449. "Mechanistic Study on Ring Contracting Skeletal Rearrangement from Porphycene to Isocorrole by the Combination of Experimental and Theoretical Studies"
     Taro Koide, Takafumi Maeda, Tsukasa Abe, Yoshihito Shiota, Yoshio Yano, Toshikazu Ono, Kazunari. Yoshizawa, and Yoshio Hisaeda, Eur. J. Org. Chem., 2020, 1811-1816 (2020).
     DOI:10.1002/ejoc.201901659
450. "Local Structures and Dynamics of Imidazole Molecules in Poly(vinylphosphonic acid)–Imidazole Composite investigated by Molecular Dynamics"
     Yuta Hori, Toshiya Suetake, Yoshihito Shiota, Kazunari. Yoshizawa, Yasuteru Shigeta, Tomonori Ida, and Motohiro Mizuno, ACS Appl. Polym. Mater.,2, 1561-1568 (2020).
     DOI:10.1021/acsapm.9b01222
451. "Macroscopic Polarization Switching via Electron Transfer in a Valence Tautomeric Cobalt Complex"
     Shu-Qi Wu, Meijiao Liu, Kaige Gao, Shinji Kanegawa, Yusuke Horie, Hajime Okajima, Akira Sakamoto, Tsukasa Abe, Yoshihito Shiota, Kazunari. Yoshizawa, Wenhuang Xu, Hui-Zhong Kou, and Osamu Sato, Nat. Commun., 11, 1992/1-8 (2020).
     DOI:10.1038/s41467-020-15988-1
452. "Osmotic pressure effects identify specific dehydration upon cyto‐ chrome c ‐ cytochrome c oxidase complex formation contributing to a specific electron pathway"
     Wataru Sato, Seiji Hitaoka, Takeshi Uchida, Kyoko Shinzawa-Itoh, Kazunari. Yoshizawa, Shinya Yoshikawa, and Koichiro Ishimori, Biochem. J., 477, 1565-1578 (2020).
     DOI:10.1042/BCJ20200023
453. "Chemical transformations of push–pull fluorenones: push–pull dibenzodicyanofulvenes as well as fluorenone– and dibenzodicyanofulvene–tetracyanobutadiene conjugates"
     S. Kato, T. Kijima, Y. Shiota, T. Abe, S. Kuwako, H. Miyauchi, N. Yoshikawa, K. Yamamoto, K. Yoshizawa, T. Yoshihara, S. Tobita, and Y. Nakamura,Org. Biomol. Chem., 18, 4198-4209 (2020).
     DOI:10.1039/c9ob02706h
454. "Optimization of Work Function via Bayesian Machine Learning Combined with First-Principles Calculation"
     Wataru Hashimoto, Yuta Tsuji, and Kazunari. Yoshizawa, J. Phys. Chem. C, 124, 9958-9970 (2020).
     DOI:10.1021/acs.jpcc.0c01106
455. "Structural Characterization of Intermediate Mo Complex for Catalytic Ammonia Synthesis by Energy-Dispersive XAFS Spectroscopy"
     Akira Yamamoto, Kazuya Arashiba, Shinpei Naniwa, Kazuo Kato, Hiromasa Tanaka, Kazunari. Yoshizawa, Hisao Yoshida, and Yoshiaki Nishibayashi, Phys. Chem. Chem. Phys., 22, 12368-12372 (2020).
     "Selected as 2020 HOT PCCP ARTICLE"
     DOI:10.1039/C9CP06761B
456. "Theoretical Rationalization in the Equilibrium between μ-η²:η²-PeroxidoCu^ⅡCu^Ⅱ and Bis(µ-oxido)Cu^ⅢCu^Ⅲ Complexes: Perturbational Effects of Ligand Frameworks"
     Tsukasa Abe, Yoshihito Shiota, Shinobu Itoh, and Kazunari. Yoshizawa, Dalton Trans., 49, 6710-6717 (2020).
     DOI:10.1039/D0DT01001D
457. "Iridium-Catalyzed Formation of Silylamine from Dinitrogen under Ambient Reaction Conditions"
     R. Kawakami, S. Kuriyama, H. Tanaka, A. Konomi, K. Yoshizawa,and Y. Nishibayashi, Chem. Lett.,49 794-797 (2020).
     DOI:10.1246/cl.200254
458. "Theoretical Study of the Direct Conversion of Methane to Methanol Using H₂O₂ as Oxidant on Pd and Au/Pd Surfaces"
     P. K. Sajith, M. Yoshida, A. Staykov, Y. Shiota, and K. Yoshizawa, J. Phys. Chem. C, 124, 13231-13239 (2020).
     DOI:10.1021/acs.jpcc.0c03237
459. "Quenching and Restoration of Orbital Angular Momentum Through a Dynamic Bond in a Cobalt(Ⅱ) Complex"
     S.-Q. Su, S.-Q. Wu, M. Baker, P. Bencok, N. Azuma, Y. Miyazaki, M. Nakano, S. Kang, Y. Shiota, K. Yoshizawa, S. Kanegawa, and O. Sato, J. Am. Chem. Soc., 142, 11434-11441 (2020).
     DOI:10.1021/jacs.0c02257
460. "Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand"
     Y. Tanabe, Y. Sekiguchi, H. Tanaka, A. Konomi, K. Yoshizawa, S. Kuriyama, and Y. Nishibayashi, Chem. Commun., 56, 6933-6936 (2020).
     DOI:10.1039/D0CC02852E
461. "Anthranoxides as Highly Reactive Arynophiles for Synthesis of Triptycenes "
     T. Iwata, M. Hyodo, T. Fukami, Y. Shiota, K. Yoshizawa, and M. Shindo, Chem. Eur. J., 26, 8506-8510 (2020).
     "Cover Article"
     DOI:10.1002/chem.202002065
462. "Cycling between Molybdenum-Dinitrogen and -Nitride Complexes to Support Reaction Pathway for Catalytic Formation of Ammonia from Dinitrogen"
     , K. Arashiba, H. Tanaka, K. Yoshizawa, and Y. Nishibayashi, Chem. Eur. J., 26, 13383-13389 (2020).
     "Selected as Front Cover Article"
     DOI:10.1002/chem.202002200
463. "Active Catalyst for Methane Hydroxylation by an Iridium-Oxo Complex"
     K. Ikeda, M. H. Haris, Y. Shiota, and K. Yoshizawa, ACS Catal., 10, 8254-8262 (2020).
     DOI:10.1021/acscatal.0c01610
464. "Mixed Anion Control of C-H Bond Activation of Methane on IrO₂ Surface"
     Y. Tsuji and K. Yoshizawa, J. Phys. Chem. C, 124, 17058-17072 (2020).
     DOI:10.1021/acs.jpcc.0c04541
465. "Novel Mechanistic Insights into Methane Activation over Fe and Cu Active Sites in Zeolites: A Comparative DFT Study Using Meta-GGA Functionals"
     M. H. Mahyuddin, A. Staykov, A. G. Saputro, M. K. Agusta, H. K. Dipojono, and K. Yoshizawa, J. Phys. Chem. C, 124, 18112-18125 (2020).
     DOI:10.1021/acs.jpcc.0c04991
466. "Redox Properties of a Bipyrimidine-Bridged Dinuclear Ruthenium(II) Complex"
     T. Ishizuka, M. Itogawa, H. Shimomura, Y. Shiota, H. Kotani, K. Yoshizawa , and T. Kojima, Inorg. Chem. Commun., 120, 108150/1-7 (2020).
     DOI:10.1016/j.inoche.2020.108150
467. "A computational study on the kinetics of pyrolysis of Isopropyl propionate as a biodiesel model: DFT and ab initio investigation"
     A. Shiroudi, K. Hirao, K. Yoshizawa, M. Altarawneh, and A. M. El-Nahas, Fuel, 281, 118798/1-13 (2020).
     DOI:10.1016/j.fuel.2020.118798
468. "Selective catalytic 2e–-oxidation of organic substrates by an FeII complex having an N-heterocyclic carbene ligand in water"
     H. Fujisaki, T. Ishizuka, Y. Shimoyama, H. Kotani, Y. Shiota, K. Yoshizawa , and T. Kojima, Chem. Commun., 56, 9783-9786 (2020).
     DOI:10.1039/D0CC03289A
469. "Electronic and Optical Modulation of Metal-Doped Hybrid Organic-Inorganic Perovskites Crystals by Post-Treatment Control"
     Arramel, A. Xie, X. Yin, C. S. Tang, M. H. Mahyuddin, C. Hettiarachchi, M. F. Sahdan, K. Yoshizawa, C. Dang, M. D. Birowosuto, A. T. S. Wee, and A. Rusydi, ACS Appl. Energy Mater., 3, 7500-7511 (2020).
     DOI:10.1021/acsaem.0c00916
470. " Molecular Functionalization of All-Inorganic Perovskites Thin Films"
     Arramel, H. Pan, A. Xie, X. Yin, C. S. Tang, K. Ikeda, M. H. Mahyuddin, M. F. Sahdan, W. Dingguan, K. Yoshizawa, H. Wang, M. D. Birowosuto, C. Dang, A. Rusydi, J. Wu, and A. T. S. Wee, J. Mater. Chem. C, 8, 12587-12598 (2020).
     DOI:10.1039/D0TC02642E
471. "Three-Step Spin State Transition and Hysteretic Proton Transfer in the Crystal of an Iron(II) Hydrazone Complex"
     T. Nakanishi, Y. Hori, S. Wu, H. Sato, A. Okazawa, N. Kojima, Y. Horie, H. Okajima, A. Sakamoto, Y. Shiota, K. Yoshizawa, and O. Sato, Angew. Chem. Int. Ed., 59, 14781-14787 (2020).
     DOI:10.1002/anie.202006763
472. " Mechanistic Insight into Concerted Proton-Electron Transfer of a Ru(IV)-Oxo Complex: A Possible Oxidative Asynchronicity"
     H. Kotani, H. Shimomura, K. Ikeda, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima, J. Am. Chem. Soc., 142, 16982-16989 (2020).
     DOI:10.1021/jacs.0c05738
473. "Role of Hydrogen-Bonding and OH–π Interactions in the Adhesion of Epoxy Resin on Hydrophilic Surfaces"
     S. Nakamura, Y. Tsuji, and K. Yoshizawa, ACS Omega, 5, 26211-26219 (2020).
     DOI:10.1021/acsomega.0c03798
474. "Mechanical Control of Molecular Conductance and Diradical Character in Bond Stretching and π Stack Compression"
     Y. Tsuji, K. Okazawa, B. Chen, and K. Yoshizawa, J. Phys. Chem. C, 124, 22941-22958 (2020).
     DOI:10.1021/acs.jpcc.0c06198
475. "Photocatalytic Hydrogen Evolution Using a Ru(II)-Bound Heteroaromatic Ligand as a Reactive Site"
     T. Sawaki, T. Ishizuka, D. Hong, M. Miyanishi, Y. Shiota, H. Kotani, K. Yoshizawa, J. Jung, S. Fukuzumi, and T. Kojima, Dalton Trans., 49, 17230-17242 (2020).
     DOI:10.1039/D0DT03546G

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2019

413. "Molecular Understanding of the Adhesive Interactions between Silica Surface and Epoxy Resin: Effects of Interfacial Water"
     C. Higuchi, H. Tanaka, and K. Yoshizawa, J. Comput. Chem. 40, 164-171 (2019).
     DOI:10.1002/jcc.25559
414. "Esterification of Tertiary Amides by Alcohols Through C–N Bond Cleavage over CeO₂"
     Takashi. Toyao, Md. Nurnobi Rashed, Yoshitugu. Morita, Takashi. Kamachi, S. M. A. Hakim Siddiki, Md. A. Ali, A. S. Touchy, Kenichi Kon, Kazunari Yoshizawa, and Ken-ichi Shimizu, ChemCatChem, 11, 449-456 (2019).
415. "Redox Behaviour of β-Dihydroporphycene Cobalt Complex: Study on the Effect of Hydrogenation of the Ligand"
     Koichi. Hashimoto, Taro. Koide, H. Shimakoshi, Yuta. Hori, Yshihito. Shiota, Kazunari. Yoshizawa, and Yoshio. Hisaeda, Dalton Trans., 48, 872-881 (2019).
     DOI:10.1039/C8DT03743D
416. "Cupric-superoxide Complex that induces a catalytic Aldol Reaction-Type C–C Bond Formation"
     Tsukasa. Abe, Yuta. Hori, Yoshihito. Shiota, Takehiro. Ohta, Yuma. Morimoto, Hideki. Sugimoto, Takeshi. Ogura, Kazunari. Yoshizawa, and Shinobu. Itoh, Commun. Chem.,2, 12/1-7, (2019).
     DOI:10.1038/s42004-019-0115-6
417. "High-Temperature Cooperative Spin Crossover Transitions and Single-Crystal Reflection Spectra of [FeIII(qsal)2](CH3OSO3) and Related Compounds"
     K. Takahashi, K. Yamamoto, T. Yamamoto, Y. Einaga, Y. Shiota, K. Yoshizawa, and H. Mori, Crystals., 9, 81/1-22, (2019).
     DOI:10.3390/cryst9020081
418. "Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite"
     Yuta Tsuji, Yasuhiro Kitamura, Masao Someya, Toshihiko Takano, Michio Yaginuma, Kohei Nakanishi, and Kazunari Yoshizawa, ACS Omega, 4 (3), 4491-4504, (2019).
     DOI:10.1021/acsomega.9b00129
419. "Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Biofuel Additives"
     Mohamed A. Abdel-Rahman, Nessreen Al-Hashemi, Mohamed F. Shibl, Kazunari. Yoshizawa, and A. M. El-Nahas, Sci. Rep., 9, 4535/1-15, (2019).
     DOI:10.1038/s41598-019-40890-2
420. "Methane Selective Oxidation to Methanol Catalyzed by Metal-Exchanged Zeolites: A Review of Active Sites and Their Reactivity"
     M. H. Mahyuddin, Y. Shiota, and K. Yoshizawa, Catal. Sci. Tech., 9, 1744-1768, (2019).
     "Selected as 2019 HOT ARTICLE"
     DOI:10.1039/c8cy02414f
421. "Activation of Methane at Metal-Support Interface of Ni4-CeO2(111) Catalyst: A Theoretical Study"
     R. K. Singha, Y. Tsuji, M. H. Mahyuddin, and K. Yoshizawa, J. Phys. Chem. C., 123, 9788-9798, (2019).
     DOI:10.1021/acs.jpcc.8b11973
422. "Catalytic Reactivity of Molybdenum–Trihalide Complexes Bearing PCP-Type Pincer Ligands"
     Aya Eizawa, Kazuya Arashiba, Akihito Egi, Hiromasa Tanaka, Kazunari Nakajima, Kazunari. Yoshizawa, Chem. Asian J., 14, 2091-2096 (2019).
     DOI:10.1002/asia.201900496
423. "Theoretical Study of Dual Catalytic Cycles for H2 and H2O Oxidations by a Half-Sandwich Iridium Complex"
     Kei Ikeda, Yuta Hori, Yoshihito Shiota, M. Haris Mahyuddin, Aleksandar Staykov, Takahiro Matsumoto, Kazunari. Yoshizawa, and Seiji. Ogo Inorg. Chem., 58, 7274-7284, (2019).
     DOI:10.1021/acs.inorgchem.9b00307
424. "Prediction of the Glass Transition Temperatures of Linear Homo/Heteropolymers and Cross-linked Epoxy Resins"
     Chisa Higuchi, Dragos Horvath, Gilles Marcou, Kazunari. Yoshizawa, and Alexandre Varnek, ACS Appl. Polym. Mater., 1, 1430-1442 (2019).
     DOI:10.1021/acsapm.9b00198
425. "Lithium-Richest Phase of Lithium Tetrelides Li17/Tt4 (Tt = Si, Ge, Sn, and Pb) as an Electride"
     Y. Tsuji, W. Hashimoto, and K. Yoshizawa, Bull. Chem. Soc. Jpn.,92, 1154-1169 (2019).
     DOI:10.1246/bcsj.20190040
426. "Local structures and electronic properties of In atoms in In-doped ZnO"
     Y. Hori, Y. Shiota, T. Ida, K. Yoshizawa, and M. Mizuno, Thin Solid Films, 685, 428-433, (2019).
     DOI:10.1016/j.tsf.2019.05.047
427. "Synthesis and Catalytic Reactivity of Dimolybdenum Trihalide Complexes Bridged by Ferrocene Skeleton toward Catalytic Nitrogen Fixation"
     T. Itabashi, K. Arashiba, H. Tanaka, A. Konomi, A. Eizawa, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Organometallics, 38, 2863-2872, (2019)
     DOI:10.1021/acs.organomet.9b00263
428. "Molybdenum-Catalyzed Ammonia Formation Using Simple Monodendate- and Bidentate-Phosphines as Auxiliary Ligands"
     Yuya Ashida, Kazuya Arashiba, Hiromasa Tanaka, Akihito Egi, Kazunari Nakajima, Kazunari Yoshizawa, and Yoshiaki Nishibayashi, Inorg. Chem., 58, 8927-8932 (2019).
     DOI:10.1021/acs.inorgchem.9b01340
429. "Fundamental Electron-Transfer and Proton-Coupled Electron Transfer Properties of Isolated Ru(IV)-Oxo Complexes"
     Hiroaki Kotani, Hinatsu Shimomura, Momoka Horimoto, Tomoya Ishizuka, Yoshihito Shiota, Kazunari. Yoshizawa, Sachiko Yanagisawa, Yuka Kawabata-Nakagawa, Minoru Kubo, and Takahiko Kojima, Dalton Trans.,48,13154-13161, (2019).
     DOI:10.1039/C9DT02734C
430. "Electronic Transport Investigation of Redox-Switching Azulenequinones/Hydroquinones via First-Principles Studies"
     El-Abed Haidar, Sherif A. Tawfik, Catherine Stampfl, Kimihiko Hirao, Kazunari Yoshizawa, Safinaz H. El-Demerdash, Takahito Nakajima, and Ahmed M. El-Nahas Phys. Chem. Chem. Phys, 21, 17859-17867 (2019).
     DOI:10.1039/C9CP03233A
431. "Mechanistic Insights into Methane Oxidation by Molecular Oxygen under Photoirradiation: Controlled Radical Chain Reactions"
     Y. Hori, Y. Shiota, and K. Yoshizawa, Bull. Chem. Soc. Jpn.,92, 1840-1846(2019).
     DOI:10.1246/bcsj.20190171
432. "Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex"
     Takumi Nakanishi, Yuta Hori, Hiroyasu Sato, Shuqi Wu, Atsushi Okazawa, Norimichi Kojima, Takashi Yamamoto, Yasuaki Einaga, Shinya Hayami, Yusuke Horie, Hajime Okajima, Akira Sakamoto, Yoshihito Shiota, Kazunari Yoshizawa, and Osamu Sato, J. Am. Chem. Soc., 141, 14384-14393, (2019).
     DOI:10.1021/jacs.9b07204
433. "Role of Amino Acid Residues for Dioxygen Activation in the Second Coordination Sphere of the Dicopper Site of pMMO"
     M. Miyanishi, T. Abe, Y. Hori, Y. Shiota, and K. Yoshizawa, Inorg. Chem.,58, 12280-12288 (2019).
     DOI:10.1021/acs.inorgchem.9b01752
434. "Real-Space Observation of Far- and Near-Field-Induced Photolysis of Molecular Oxygen on a Ag(110) Surface by Visible Light"
     C. Lin, K. Ikeda, Y. Shiota, K. Yoshizawa, and T. Kumagai, J. Chem. Phys.151, 144705/1-7 (2019).
     DOI:10.1063/1.5112158
435. "An Azulene-Based Chiral Helicene and its Air-Stable Cation Radical "
     Masahiro Narita, Takaaki Teraoka, Toshihiro Murafuji, Yoshihito Shiota, Kazunari Yoshizawa, Shigeki Mori, Hidemitsu Uno, Kenta Goto, Fumito Tani, Bull. Chem. Soc. Jpn., 92, 1867-1873 (2019).
     "BCSJ Award"
     DOI:10.1246/bcsj.20190219
436. "Visible light-driven cross-coupling reactions of alkyl halides with phenylacetylene derivatives for C(sp³)-C(sp) bond formation catalyzed by B₁₂ complex"
     C. Li, Y. Kametani, K. Imamura, T. Abe, Y. Shiota, K. Yoshizawa, and Y. Hisaeda, and H. Shimakoshi, Chem. Commun. , 55, 13070-13073 (2019).
     DOI:10.1039/C9CC06185A
437. "Giant anisotropic thermal expansion actuated by thermodynamically assisted reorientation of molecular wheels in a single crystal"
     Zi-Shuo Yao, Hanxi Guan, Yoshihito Shiota, Chun-Ting He, Xiao-Lei Wang, Shuqi Wu, Xiaoyan Zheng, Sheng-Qun Su, K. Yoshizawa, Xueqian Kong, Osamu Sato, and Jun Tao, Nat. Commun., 10, 4805/1-8 (2019).
     DOI:10.1038/s41467-019-12833-y
438. "Temperature dependence of spherical electron transfer in a nanosized [Fe₁₄] complex"
     Wei Huang, Shuqi Wu, Xiangwei Gu, Yao Li, Atsushi Okazawa, Norimichi Kojima, Shinya Hayami, Michael L. Baker, Peter Bencok, Mariko Noguchi, Yuji Miyazaki, Motohiro Nakano, Takumi Nakanishi, Shinji Kanegawa, Yuji Inagaki, Tatsuya Kawae, Gui-Lin, Zhuang, Yoshihito Shiota, Kazunari. Yoshizawa, Dayu Wu, and Osamu Sato, Nat. Commun., 10, 5510/1-9 (2019).
     DOI:10.1038/s41467-019-13279-y
439. "Catalytic reduction of dinitrogen into tris(trimethylsilyl)amine using rhodium complexes with a pyrrole-based PNP-type pincer ligand"
     Ryosuke Kawakami, Shogo Kuriyama, Hiromasa Tanaka, Kazuya Arashiba, Asuka Konomi, Kazunari Nakajima, Chem.Commun., 55, 14886-14889 (2019).
     DOI:10.1039/C9CC06896A
440. "Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical"
     Mohamed A. Abdel-Rahman, Tarek M. El-Gogary, Nessreen Al-Hashemi, Mohamed F. Shibl, Kazunari. Yoshizawa, and Ahmed M. El-Nahas, Sci. Rep., 9, 15361/1-13 (2019).
     DOI:10.1038/s41598-019-51544-8
441. "Formation of a Ruthenium(ⅴ)-Imido Complex and the Reactivity in Substrate Oxidation in Water through the Nitrogen Non-Rebound Mechanism"
     Tomoya Ishizuka, Taichi Kogawa, Misaki Makino, Yoshihito Shiota, Kazuaki Ohara, Hiroaki Kotani, Shunsuke Nozawa, Shin-ichi Adachi, Kentaro Yamaguchi, Kazunari. Yoshizawa, and Takahiko Kojima, Inorg, Chem., 58, 12815-12824 (2019).
     DOI:10.1021/acs.inorgchem.9b01781

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2018

391. "Catalytic Performance of a Dicopper-oxo Complex for Methane Hydroxylation"
     Y. Hori, Y. Shiota, T. Tsuji, M. Kodera, K. Yoshizawa, Inorg. Chem., 57,8-11(2018).
     DOI:10.1021/acs.inorgchem.7b02563
     “ACS Editor’s Choice”
392. "NH Tautomerism of a Quadruply-Fused Porphyrin–Rigid Fused Structure Delays the Proton Transfer"
     Y. Saegusa, T. Ishizuka, Y. Shiota, K. Yoshizawa, T. Kojima, J. Phys. Chem. B, 122, 316-327(2018)
     DOI:10.1021/acs.jpcb.7b10945
393. "Methane Partial Oxidation over [Cu₂(μ-O)]²⁺ and [Cu₃(μ-O)₃]²⁺ Active Species in Large-Pore Zeolites"
     M. H. Mahyuddin, T. Tanaka, Y. Shiota, A. Staykov, and K. Yoshizawa, ACS Catal., 8, 1500-1509 (2018)
     DOI:10.1021/acscatal.7b03389
394. "Formation and Isolation of a Four-Electron Reduced Porphyrin Derivative via Further Reduction of a Stable 20π Isophlorin"
     W. Suzuki, H. Kotani, T. Ishizuka, Y. Shiota, K. Yoshizawa, and Takahiko Kojima, Angew. Chem. Int. Ed., 57, 1973 (2018)
     DOI:10.1002/anie.201711058
395. "Contribution of Coulomb Interactions to Two-step Crystal Structural Phase Transformation Coupled to the Significant Change in Spin Crossover Behavior for a Series of Charged FeII Complexes from 2,6-bis(2-methylthiazol-4-yl)pyridine"
     K. Takahashi, M. Okai, T. Mochida, T. Sakurai, H. Ohta, T. Yamamoto, Y. Einaga, Y. Shiota, K. Yoshizawa, H. Konaka, S. Sasaki, Inorg. Chem., 57, 1277-1287 (2018).
     DOI:10.1021/acs.inorgchem.7b02721
396. "Cobalt–Carbon Bond Formation Reaction via Ligand Reduction of Porphycene Cobalt(II) Complex and Its Non-Innocent Reactivity"
     T. Koide, I. Aritome, T. Saeki, Y. Morita, Y. Shiota, K. Yoshizawa, H. Shimakoshi, Y. Hisaeda, ACS Omega, 3, 4027-4034 (2018).
     DOI:10.1021/acsomega.8b00239
397. "Disilaruthena- and Ferra-Cyclic Complexes Containing Isocyanide Ligands as Effective Catalysts for Hydrogenation of Unfunctionalized Sterically Hindered Alkenes"
     Y. Sunada, H. Ogushi, T. Yamamoto, S. Uto, M. Sawano, A. Tahara, H. Tanaka, Y. Shiota, K. Yoshizawa, H. Nagashima, J. Am. Chem. Soc., 140, 4119-4134 (2018).
     DOI:10.1021/jacs.8b00812
398. "Two Discrete RuCp*-Binding Modes of N-Confused Porphyrins: Peripheral π-Complex and Sitting Atop Ruthenocenophane Complex via Skeletal Transformation"
     T. Yamamoto, H. Mitsuno, S. Mori, S. Itoyama, Y. Shiota, K. Yoshizawa, S. Ishida, H. Furuta, Chem. Eur. J., 24, 6742-6746 (2018).
     DOI:10.1002/chem.201801237
399. "Mechanistic Insights into Homogeneous Electrocatalytic and Photocatalytic Hydrogen Evolution Catalyzed by High-Spin Ni(II) Complexes with S₂N₂-Type Tetradentate Ligands"
     D. Hong, Y. Tsukakoshi, H. Kotani, T. Ishizuka, K. Ohkubo, Y. Shiota, K. Yoshizawa, S. Fukuzumi, and T. Kojima, Inorg. Chem., 57, 7180-7190 (2018).
     DOI:10.1021/acs.inorgchem.8b00881
400. "Intermediate-Spin Iron(III) Complexes Having a Redox-Noninnocent Macrocyclic Tetraamido Ligand"
     T. Kojima, F. Ogishima, T. Nishibu, H. Kotani, T. Ishizuka, T. Okajima, S. Nozawa, Y. Shiota, K. Yoshizawa, H. Ohtsu, M. Kawano, T. Shiga, H. Oshio, Inorg. Chem., 57, 9683-9695 (2018).
     DOI:0.1021/acs.inorgchem.8b00037
401. "Catalytic Reduction of Molecular Dinitrogen into Ammonia and Hydrazine Using Vanadium Complexes"
     Y. Sekiguchi, K. Arashiba, H. Tanaka, A. Eizawa, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Angew. Chem. Int. Ed., 57, 9064-9068 (2018).
     DOI:10.1002/ange.201802310
402. "Aerobic Oxidation of Alkanes on Icosahedron Gold Nanoparticles"
     A. Staykov, T. Miwa, and K. Yoshizawa, J. Catal., 364, 141-153 (2018).
     DOI:10.1016/j.jcat.2018.05.017
403. "Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity"
     Y. K. Maurya, K. Noda, K. Yamasumi, S. Mori, T. Uchiyama, K. Kamitani, T. Hirai, M. Nishibori, Y. Hori, Y. Shiota, K. Yoshizawa, M. Ishida, and H. Furuta, J. Am. Chem. Soc., 140 (22), 6883-6892 (2018).
     DOI:10.1021/jacs.8b01876
404. "Adsorption and Activation of Methane on the (110) Surface of Rutile-Type Metal Dioxides"
     Y. Tsuji and K. Yoshizawa, J. Phys. Chem. C, 122 (27), 15359-15381 (2018).
     DOI:10.1021/acs.jpcc.8b03184
405. "Theoretical Overview of Methane Hydroxylation by Copper-Oxygen Species in Enzymatic and Zeolitic Catalysts"
     M. H. Mahyuddin, Y. Shiota, A. Staykov, and K. Yoshizawa, Acc. Chem. Res., 51, 2382-2390 (2018).
     DOI:10.1021/acs.accounts.8b00236
406. "Interaction of SrO-terminated SrTiO3 Surface with Oxygen, Carbon Dioxide, and Water"
     A. Staykov, S. Fukumori, K. Yoshizawa, K. Sato, T. Ishihara, and J. Kilner, J. Mater. Chem. A, 6, 22662-22672 (2018).
     DOI:10.1039/C8TA05177A
407. "Dioxygen Activation on Cu-MOR Zeolite: Theoretical Insights into the Formation of Cu₂O and Cu₃O₃ Active Species"
     M. H. Mahyuddin, T. Tanaka, A. Staykov, Y. Shiota, and K. Yoshizawa, Inorg. Chem., 57, 10146-10152 (2018).
     DOI:10.1021/acs.inorgchem.8b01329
408. "Synthesis and reactivity of titanium– and zirconium–dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands"
     Y. Sekiguchi, F. Meng, H. Tanaka, A. Eizawa, K. Arashiba, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Dalton Trans., 47, 11322-11326 (2018).
     DOI:10.1039/C8DT02739K
409. "Effects of Electron-Phonon Coupling on Quantum Interference in Polyenes"
     Y. Tsuji and K. Yoshizawa, J. Chem. Phys., 149, 134115/1-15 (2018).
     DOI:10.1063/1.5048955
410. "DFT Exploration of Active Site Motifs in Methane Hydroxylation by Ni-ZSM-5 Zeolite"
     M. H. Mahyuddin and K. Yoshizawa, Catal. Sci. Tech., 8, 5875-5885 (2018).
     DOI:10.1039/C8CY01441H
411. "Importance of the Reactant-State Potentials of Chromium(V)-Oxo Complexes to Determine the Reactivity in Hydrogen-Atom Transfer Reactions"
     H. Kotani, S. Kaida, T. Ishizuka, K. Mieda, M. Sakaguchi, T. Ogura, Y. Shiota, K. Yoshizawa, T. Kojima, Inorg. Chem., 57 (21), 13929-13936 (2018).
     DOI:10.1021/acs.inorgchem.8b02453
412. "Density-Functional Tight-Binding Study on the Effects of Interfacial Water in the Adhesion Force between Epoxy Resin and Alumina Surface"
     K. Yoshizawa, H. Murata, and H. Tanaka, Langmuir, 34 (47), 14428-14438 (2018).
     DOI:10.1021/acs.langmuir.8b02490

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2017

369. "TiO2-Supported Re as a General and Chemoselective Heterogeneous Catalyst for Hydrogenation of Carboxylic Acids to Alcohols"
     T. Toyao, S. M. A. H. Siddiki, A. S. Touchy, W. Onodera, K. Kon, Y. Morita, T. Kamachi, K. Yoshizawa, and K. Shimizu, Chem. Eur. J., 23, 1001-1006 (2017)
     DOI:10.1002/chem.201604762
     Selected as "Cover Article"
370. "Anisotropic Change in Magnetic Susceptibility of a Dynamic Single Crystal of Cobalt(II) Complex"
     Z.-S. Yao, S.-Q. Wu, Y. Kitagawa, S.-Q. Su, Y.-G. Huang, G.-L. Li, Z.-H. Ni, H. Nojiri, Y. Shiota, K. Yoshizawa, S. Kang, S. Kanegawa, and O. Sato, Angew. Chem. Int. Ed., 56, 717-721 (2017)
     DOI:10.1002/anie.201606165
371. "Acid-Base Properties of a Freebase Form of a Quadruply-Ring-Fused Porphyrin—Stepwise Protonation Induced by Rigid Ring-Fused Structure"
     Y. Saegusa, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima, J. Org. Chem., 82 (1), 322-330 (2017)
     DOI:10.1021/acs.joc.6b02419
372. "Electrical Conductance and Diode-Like Behavior of Substituted Azulene"
     A. El-Nahas, A. Staykov, and K. Yoshizawa, J. Phys. Chem. C, 121 (5), 2504-2511 (2017)
     DOI:10.1021/acs.jpcc.6b10339
373. "Redox Potentials of Cobalt Corrinoids with Axial Ligands Correlate with Heterolytic Co–C Bond Dissociation Energies"
     Y. Morita, K. Oohora, A. Sawada, T. Kamachi, K. Yoshizawa, T. Hayashi, and Inorg. Chem., 56 (4), 1950-1955 (2017)
     DOI:10.1021/acs.inorgchem.6b02482
374. "Synergy of Electrostatic and van der Waals Interactions in the Adhesion of Epoxy Resin with Carbon-Fiber and Glass Surfaces"
     K. Yoshizawa, T. Semoto, S. Hitaoka, C. Higuchi, Y. Shiota, and H. Tanaka, Bull. Chem. Soc. Jpn., 90 (5), 500-505 (2017)
     DOI:10.1246/bcsj.20160426
     “Selected Paper”
375. "σ-CAM Mechanisms for the Hydrogenation of Alkenes by cis- and trans-Disilametallacyclic Carbonyl Complexes (M = Fe, Ru, Os): Experimental and Theoretical Studies"
     K. Miyamoto, A. Tahara, Y. Sunada, H. Tutumi, R. Inoue, H. Tanaka, Y. Shiota, K. Yoshizawa, and H. Nagashima, Bull. Chem. Soc. Jpn., 90 (5), 613-626 (2017)
     DOI:10.1246/bcsj.20170004
     "BCSJ Award"
376. "Thermodynamics and Photodynamics of a Monoprotonated Porphyrin Directly Stabilized by Hydrogen Bonding with Polar Protic Solvents"
     W. Suzuki, H. Kotani, T. Ishizuka, K. Ohkubo, Y. Shiota, K. Yoshizawa, S. Fukuzumi, and T. Kojima, Chem. Eur. J., 23 (19), 4669-4679 (2017)
     DOI:10.1002/chem.201606012
377. "Remarkable Catalytic Activity of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing N-Heterocyclic Carbene-Based PCP-Pincer Ligand toward Nitrogen Fixation under Ambient Reaction Conditions"
     A. Eizawa, K. Arashiba, H. Tanaka, S. Kuriyama, Y. Matsuo, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Nature Commun., 8, 14874/1-12 (2017)
     DOI:10.1038/ncomms14874
378. "Phenylamine-functionalized mesoporous silica supported PdAg nanoparticles: a dual heterogeneous catalyst for the formic acid/CO2-mediated chemical hydrogen delivery/storage"
     Kohsuke Mori, Shinya Masuda, Hiromasa Tanaka, K. Yoshizawa, Michel Che, and Hiromi Yamashita, Chem. Commun., 53, 4677-4680 (2017)
     DOI:10.1039/C7CC00864C
379. "Roles of Zeolite Confinement and Cu–O–Cu Angle on the Direct Conversion of Methane to Methanol by [Cu2(μ-O)]2+-Exchanged AEI, CHA, AFX, and MFI Zeolites"
     M. Haris Mahyuddin , A. Staykov, Y. Shiota, M. Miyanishi, and K. Yoshizawa, ACS Catalysis, 7, 3741–3751 (2017)
     DOI:10.1021/acscatal.7b00588
380. "Catalytic C–H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(III) centre"
     D. Fujita, H. Sugimoto, Y. Shiota, Y. Morimoto, K. Yoshizawa, S. Itoh, Chem. Commun., 53, 4849-4852 (2017)
     DOI:10.1039/C7CC01840A
381. "Frontier Orbital Perspective for Quantum Interference in Alternant and Non-Alternant Hydrocarbons"
     Y. Tsuji and K. Yoshizawa, J. Phys. Chem. C, 121, 9621-9626 (2017)
     DOI:10.1021/acs.jpcc.7b02274
382. "Isolation and Phototransformation of Enatiomerically Pure Iridium(III) Bis[(4,6-difuorophenyl)pyridinato-N,C2]picolinate"
     Y. Wang, T. Harada, Y. Shiota, K. Yoshizawa, H. Wang, S. Wang, X. Ye, M. Ogasawara, and T. Nakano, RSC. Adv., 7, 29550-29553 (2017)
     DOI:10.1039/C7RA04141A
383. "Specific Enhancement of Catalytic Activity by a Dicopper Core in Selective Hydroxylation of Benzene to Phenol with Hydrogen Peroxide Catalyzed by Copper Complexes"
     M. Kodera, T. Tsuji, A. Zaoputra, Y. Hitomi, K. Mieda, T. Ogura, Y. Shiota, K. Yoshizawa, H. Sato, Angew. Chem. Int. Ed., 56, 7779-7782 (2017)
     DOI:10.1002/anie.201702291
384. "Formation of Supramolecular Hetero-Triads by Controlling Hydrogen Bonding of Conjugate Bases with a Diprotonated Porphyrin Based on Electrostatic Interaction"
     W. Suzuki, H. Kotani, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima, Chem. Commun., 53, 6359-6362 (2017)
     DOI:10.1039/C7CC03635C
385. "Catalytic Nitrogen Fixation via Direct Cleavage of Nitrogen–Nitrogen Triple Bond of Molecular Dinitrogen under Ambient Conditions"
     K. Arashiba, A. Eizawa, H. Tanaka, K. Nakajima, K. Yoshizawa, Y. Nishibayashi, Bull. Chem. Soc. Jpn., 90, 1111-1118 (2017)
     DOI:10.1246/bcsj.20170197
     “BCSJ Award”
386. "Photochemical Intramolecular C–H Addition of Dimesityl-(hetero)arylboranes via a [1,6]-Sigmatropic Rearrangement"
     N. Ando, A. Fukazawa, T. Kushida, Y. Shiota, S. Itoyama, K. Yoshizawa, Y. Matsui, Y. Kuramoto, H. Ikeda, and S. Yamaguchi, Angew. Chem. Int. Ed., 56, 12210-12214 (2017)
     DOI:10.1002/anie.201706929
387. "Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O"
     M. H. Mahyuddin, Y. Shiota, A. Staykov, and K. Yoshizawa, Inorg. Chem., 56, 10370-10380 (2017)
     DOI:10.1021/acs.inorgchem.7b01284
388. "Rhenium-Loaded TiO2: A Highly Versatile and Chemoselective Catalyst for the Hydrogenation of Carboxylic Acid Derivatives and the N-Methylation of Amines Using H2 and CO2"
     T. Toyao, S. M. A. H. Siddiki, Y. Morita, T. Kamachi, A. S. Touchy, W. Onodera, K. Kon, S. Furukawa, H. Ariga, K. Asakura, K. Yoshizawa, and K. Shimizu, Chem. Eur. J., 23, 14848-14859 (2017)
     DOI:10.1002/chem.201702801
389. "Efficient 1H NMR chiral discrimination of sulfoxides caused by the dynamic nature of (R,R)-3',3"-biBINOL"
     Hiroshi Furuno, Toshio Kawanami, Kentaro Ishizuka, Yoshihito Shiota, Kazunari Yoshizawa, Junji Inanaga, Tetrahedron Assymmetry, 28, 1587-1590 (2017)
     DOI:10.1016/j.tetasy.2017.10.008
390. "Combined Theoretical and Experimental Study on Alcoholysis of Amides on CeO2 Surface: A Catalytic Interplay between Lewis Acid and Base Sites"
     T. Kamachi, S. M. A. H. Siddiki, Y. Morita, M. A. Ali, K. Kon, T. Toyao, K. Shimizu, and K. Yoshizawa, Catal. Today, in press (2017)
     DOI:10.1016/j.cattod.2017.09.006

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2016

335. "Persistent Four-Coordinate Iron-Centered Radical Stabilized by p-Donation"
     Y. Sunada, S. Ishida, F. Hirakawa, Y. Shiota, K. Yoshizawa, S. Kanegawa, O. Sato, H. Nagashima, and T. Iwamoto, Chem. Sci., 7, 191-198 (2016)
     DOI:10.1039/C5SC02601F
336. "Heterometallic FeIII/K coordination polymer with a wide thermal hysteretic spin transition around room temperature"
     S. Kang, Y. Shiota, A. Kariyazaki, S. Kanegawa, K. Yoshizawa, and O. Sato, Chem. Eur. J., 22, 532-538 (2016)
     DOI:10.1002/chem.201680262
337. "Synthesis and Structure of a Water-soluble m-h1: h1-N2 Dinuclear RuII Complex with a Polyamine Ligand"
     K. Yoshimoto, T. Yatabe, T. Matsumoto, A. Robertson, H. Nakai, H. Tanaka, T. Kamachi, Y. Shiota, K. Yoshizawa, K. Asazawa, H. Tanaka, and Seiji Ogo, Chem. Lett., 45, 3277-3284 (2016)
     DOI:10.1246/cl.151004
338. "Intraprotein transmethylation via a CH3–Co(III) species in myoglobin reconstituted with a cobalt corrinoid complex"
     Y. Morita, K. Ohora, A. Sawada, K. Doitomi, T. Kamachi, K. Yoshizawa, Y. Hisaeda, and T. Hayashi, Dalton Trans., 45, 3277-3284 (2016)
     DOI:10.1039/C5DT04109K
339. "A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-field N2O4 Coordination Octahedron"
     K. Takahashi, K. Kawamukai, M. Okai, T. Mochida, T. Sakurai, H. Ohta, T. Yamamoto, Y. Einaga, Y. Shiota, and K. Yoshizawa, Chem. Eur. J., 22, 1253-1257 (2016)
     DOI:10.1002/chem.201504883
340. "Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin"
     Y. Morita, K. Oohora, E. Mizohata, A. Sawada, T. Kamachi, K. Yoshizawa, T. Inoue, and T. Hayashi, Inorg. Chem., 55, 1287-1295 (2016)
     DOI:10.1021/acs.inorgchem.5b02598
341. "The chemistry of benzodisilacyclobutenes and benzobis(disilacyclobutene)s: New development of transition-metal-catalyzed reactions, stereochemistry and theoretical studies"
     M. Ishikawa, A. Naka, and K. Yoshizawa, Dalton Trans., 45, 3210-3235 (2016)
     DOI:10.1039/C5DT04569J
342. "Homogeneous Photocatalytic Water Oxidation with a Dinuclear Co(III)-Pyridylmethylamine Complex"
     T. Ishizuka, A. Watanabe, H. Kotani, K. Satonaka, T. Wada, Y. Shiota, K. Yoshizawa, K. Ohara, K. Yamaguchi, S. Kato, S. Fukuzumi, and T. Kojima, Inorg. Chem., 55, 1154-1164 (2016)
     DOI:10.1021/acs.inorgchem.5b02336
343. "Low-mode conformational search method with semiempirical quantum mechanical calculations: application to enantioselective organocatalysis"
     T. Kamachi, and K. Yoshizawa, J. Chem. Inf. Mod., 56, 347-353 (2016)
     DOI:10.1021/acs.jcim.5b00671
344. "Possible Peroxo State of the Dicopper Site of Particulate Methane Monooxygenase from Combined Quantum Mechanics and Molecular Mechanics Calculations"
     S. Itoyama, K. Doitomi, T. Kamachi, Y. Shiota, and K. Yoshizawa, Inorg. Chem., 55, 2771-2775 (2016)
     DOI:10.1021/acs.inorgchem.5b02603
345. "Thermal behavior of benzobis(tetraethyldisilacyclobutene)"
     A. Naka, K. Yoshizawa, and M. Ishikawa, Zeitschrift für Naturforschung B, 71, 227-230 (2016)
     DOI:10.1515/znb-2015-0155
346. "Formation and high reactivity of anti-dioxo form of high-spin μ-oxodioxodiiron(IV) as the active species that cleavages strong C-H bonds"
     M. Kodera, S. Ishiga, Y. Kawahara, T. Tsuji, K. Sakurai, Y. Hitomi, Y. Shiota, P. K. Sajith, K. Yoshizawa, K. Mieda, T. Ogura, and Chem. Eur. J., 22, 5924-5936 (2016)
     DOI:10.1002/chem.201600048
347. "Superior Thermoelasticity and Shape-Memory Nanopores in a Porous Supramolecular Organic Framework"
     Y.-G. Huang, Y. Shiota, M.-Y. Wu, S.-Q. Su, Z.-S. Yao, S. Kang, S. Kanegawa, G.-L. Li, S.-Q. Wu, T. Kamachi, K. Yoshizawa, M.-C. Hong, and Osamu Sato, Nature Commun., 7, 11564/1- (2016)
     DOI:10.1038/ncomms11564
348. "First-Principals Calculations of Electron Transport Through Azulene"
     A. El-Nahas, A. Staykov, and K. Yoshizawa, J. Phys. Chem. C, 120, 9043-9052 (2016)
     DOI:10.1021/acs.jpcc.6b00767
349. "Interplay between Theory and Experiment for Ammonia Synthesis by Transition Metal Complexes"
     H. Tanaka, Y. Nishibayashi, and K. Yoshizawa, Acc. Chem. Res., 49, 987-995 (2016)
     DOI:10.1021/acs.accounts.6b00033
350. "Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes"
     H. Taguchi, D. Sasaki, K. Takeuchi, S. Tsujimoto, T. Matsuo, H. Tanaka, K. Yoshizawa, and F. Ozawa, Organometallics, 35, 1526-1533 (2016)
     DOI:10.1021/acs.organomet.6b00113
351. "Computational Study of Cyclobutane-1,3-diylidene Dicarbenes: Ground-State Spin Multiplicity and New Strategy Toward the Synthesis of Bicyclo[1.1.0]but-1(3)-enes"
     Y. Fujita, M. Abe, Y. Shiota, T. Suzuki, and K. Yoshizawa, Bull. Chem. Soc. Jpn., 89, 770-778 (2016)
     DOI:10.1246/bcsj.20160051
     “Selected Paper”
352. "The Role of Coulombic Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III) Complexes from a π-Extended ONO Ligand"
     S. Murata, K. Takahashi, T. Sakurai, H. Ohta, T. Yamamoto, Y. Einaga, Y. Shiota, and K. Yoshizawa, Crystals, 6, 49-64 (2016)
     DOI:10.3390/cryst6050049
353. "Computational Mutation Study on the Role of Catalytic Residues in Coenzyme B12-Dependent Diol Dehydratase"
     K. Doitomi, T. Kamachi, T. Toraya, and K. Yoshizawa, Bull. Chem. Soc. Jpn., 89, 955-964 (2016)
     DOI:10.1246/bcsj.20160083
     “Selected Paper”
354. "Energetic Mechanism of Cytochrome c - Cytochrome c Oxidase Electron Transfer Complex Formation under Turnover Conditions Revealed by Mutational Effects and Docking Simulation"
     W. Sato, S. Hitaoka, K. Inoue, M. Imai, T. Saio, T. Uchida, K. Shinzawa-Itoh, S. Yoshikawa, K. Yoshizawa, and K. Ishimori, J. Biol. Chem., 36, 291-300 (2016)
     DOI:10.1074/jbc.M115.708065
355. "Catalytic transformation of molecular dinitrogen into ammonia and hydrazine by using iron-dinitrogen complexes bearing anionic PNP-pincer ligand"
     S. Kuriyama, K. Arashiba, K. Nakajima, Y. Matsuo, H. Tanaka, K. Ishii, K. Yoshizawa, and Y. Nishibayashi, Nature Commun., 7, 12181 (2016)
     DOI:10.1038/ncomms12181
356. "Mechanistic Insights into C-H Oxidations by Ruthenium(III)-Pterin Complexes: Impact of Basicity of the Pterin Ligand and Electron Acceptability of the Metal Center on the Transition States"
     H. Mitome, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, and T. Kojima, J. Am. Chem. Soc., 138, 9508-9520 (2016)
     DOI:10.1021/jacs.6b03785
357. "An Azulene-Fused Tetracene Diimide with a Small HOMO-LUMO Gap"
     T. Koide, M. Takesue, T. Murafuji, K. Satomi, Y. Suzuki, J. Kawamata, K. Terai, M. Suzuki, H. Yamada, Y. Shiota, K. Yoshizawa, and F. Tani, ChemPlusChem, 81-86 (2016)
     DOI:10.1002/cplu.201600356
358. "Direct Transformation of Molecular Dinitrogen into Ammonia Catalyzed by Cobalt-Dinitrogen Complexes Bearing Anionic PNP-Pincer Ligand"
     S. Kuriyama, K. Arashiba, H. Tanaka, Y. Matsuo, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Angew. Chem. Int. Ed., 55, 14291-14295 (2016)
     DOI:10.1002/anie.201606090
359. "Azaferrocene-Based PNP-type Pincer Ligand: Synthesis of Molybdenum, Chromium, and Iron Complexes and Reactivity toward Nitrogen Fixation"
     S. Kuriyama, K. Arashiba, K. Nakajima, H. Tanaka, K. Yoshizawa, and Y. Nishibayashi, Eur. J. Inorg. Chem., 4856-4861 (2016)
     DOI:10.1002/ejic.201601051
360. "A Ruthenium(III)-Oxyl Complex Bearing a Strong Radical Character"
     Y. Shimoyama, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, K. Mieda, T. Ogura, T. Okajima, and T. Kojima, Angew. Chem. Int. Ed., 55, 14041-14045 (2016)
     DOI:10.1002/anie.201607861
361. "Push-pull fluorenones and benzazulenequinones: unprecedented regioselective [4 + 2] and [2 + 2] cycloadditions of benzopentalenequinone derivative and alkynes bearing an aniline moiety"
     S. Kato, T. Kijima, Y. Shiota, T. Yoshihara, S. Tobita, K. Yoshizawa, and Y. Nakamura, Tetrahedron Lett., 57, 4604-4607 (2016)
     DOI:10.1016/j.tetlet.2016.09.002
362. "Thermally induced intra-carboxyl proton shuttle in a molecular rack-and-pinion cascade achieving macroscopic crystal deformation"
     Y.-G. Huang, Y. Shiota, S.-Q. Su, S.-Q. Wu, Z.-S. Yao, G.-L. Li, S. Kanegawa, S. Kang, T. Kamachi, K. Yoshizawa, K. Ariga, and O. Sato, Angew. Chem. Int. Ed., 55, 14628-14632 (2016)
     DOI:10.1002/anie.201607886
363. "Push-pull fluorenones and benzazulenequinones: regioselective [4 + 2] and [2 + 2] cycloadditions of benzopentalenequinone derivative and alkynes bearing an aniline moiety"
     S. Kato, T. Kijima, Y. Shiota, T. Yoshihara, S. Tobita, K. Yoshizawa, and Y. Nakamura, Tetrahedron Lett., 57, 4604-4607 (2016)
     DOI:10.1016/j.tetlet.2016.09.002
364. "Directional Electron Transfer in Crystals of [CrCo] Dinuclear Complexes Achieved by a Chirality-Assisted Preparative Method"
     S. Kanegawa, Y. Shiota, S. Kang, K. Takahashi, H. Okajima, A. Sakamoto, T. Iwata, H. Kandori, and K. Yoshizawa, and O. Sato, J. Am. Chem. Soc., 138 (43), 14170-14173 (2016)
     DOI:10.1021/jacs.6b05089
365. "Electrical conductivity of dithiophene-based diblock molecular Junctions"
     A. El-Nahas, A. Gamea, M. M. El-Hendawy, and K. Yoshizawa, Comp. Theoret. Chem., 1099, 64-74 (2017)
     DOI:10.1016/j.comptc.2016.11.012
366. "A Platinum(0) Complex with a Square Planar Geometry"
     K. Takeuchi, H. Taguchi, I. Tanigawa, S. Tsujimoto, T. Matsuo, H. Tanaka, K. Yoshizawa, and F. Ozawa, Angew. Chem. Int. Ed., 55, 15347-15350 (2016)
     DOI:10.1002/anie.201609515
367. "Direct Conversion of Methane to Methanol by Metal-Exchanged ZSM-5 Zeolite (Metal = Fe, Co, Ni, and Cu)"
     M. H. Mahyuddin, A. Staykov, Y. Shiota, and K. Yoshizawa, ACS Catal., 6, 8321-8331 (2016)
     DOI:10.1021/acscatal.6b01721
368. "Theoretical Study of the Catalytic Hydrogenation of Alkenes by a Disilaferracyclic Complex: Can the Fe-Si s-Bond-assisted Activation of H-H Bonds Allow Development of an Efficient Catalysis of Iron?"
     A. Tahara, H. Tanaka, Y. Sunada, Y. Shiota, K. Yoshizawa, and H. Nagashima, J. Org. Chem., 81, 10900-10911 (2016)
     DOI:10.1021/acs.joc.6b01961

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2015

318. "Selective Carbon Dioxide Adsorption of ε-Keggin-type Zincomolybdate-based Purely-Inorganic 3D Frameworks"
     Z. Zhang, M. Sadakane, S. Noro, T. Maruyama, T. Kamachi, K. Yoshizawa, and W. Ueda, J. Mater. Chem. A, 3, 746-755 (2015).
     DOI:10.1039/C4TA05496B
319. "A Ferromagnetically Coupled Fe42 Cyanide-Bridged Nanocage"
     S. Kang, H. Zheng, T. Liu, K. Hamachi, S. Kanegawa, K. Sugimoto, Y. Shiota, S. Hayami, M. Mito, T. Nakamura, M. L. Baker, H. Nojiri, K. Yoshizawa, C. Duan, and O. Sato, Nature Commun., 6, 5955/1-6 (2015).
     DOI:10.1038/ncomms6955
320. "Formation and Characterization of a Reactive Chromium(V)-Oxo Complex: A Mechanistic Insight into Hydrogen-Atom Transfer Reactions"
     H. Kotani, S. Kaida, T. Ishizuka, M. Sakaguchi, T. Ogura, Y. Shiota, K. Yoshizawa, and T. Kojima, Chem. Sci., 6, 945-955 (2015).
     DOI:10.1039/C4SC02285H
321. "Controlling the Redox Properties of a Pyrroloquinolinequinone (PQQ) Derivative in a Ruthenium(II) Coordination Sphere"
     H. Mitome, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima, Dalton Trans., 44, 3151-3158 (2015).
     DOI:10.1039/C4DT03358B
322. "Mechanistic Study of Methanol Oxidation by RuIV–oxo complexes"
     Y. Shiota, S. Takahashi, S. Ohzu, T. Ishizuka, T. Kojima, and K. Yoshizawa, J. Porphyrins Phthalocyanines., 19, 417-426 (2015).
     DOI:10.1142/S1088424615500285
323. "Mechanistic Aspects in the Direct Synthesis of Hydrogen Peroxide from First Principles"
     J. Li, and K. Yoshizawa, Catal. Today, 248, 142-148 (2015).
     DOI:10.1016/j.cattod.2014.04.009
324. "Computational Exploration of the Mechanism of the Hydrogenation Step of the Anthraquinone Process for Hydrogen Peroxide Production"
     T. Kamachi, T. Ogata, E. Mori, K. Iura, N. Okuda, M. Nagata, and K. Yoshizawa, J. Phys. Chem. C, 119, 8748-8754 (2015).
     DOI:10.1021/acs.jpcc.5b01325
325. "Cobalt-Catalyzed Transformation of Molecular Dinitrogen into Silylamine under Ambient Reaction Conditions"
     R. Imayoshi, H. Tanaka, Y. Matsuo, M. Yuki, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Chem. Eur. J., 21, 8905-8909 (2015).
     DOI:10.1002/chem.201501088
326. "Catalytic Reduction of Dinitrogen into Ammonia by Use of Molybdenum-Nitride Complexes Bearing Tridentate Triphosphine as Catalysts"
     K. Arashiba, E. Kinoshita, S. Kuriyama, A. Eizawa, K. Nakajima, H. Tanaka, K. Yoshizawa, and Y. Nishibayashi, J. Am. Chem. Soc., 137, 5666-5669 (2015).
     DOI:110.1021/jacs.5b02579
327. "Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum-dinitrogen complexes: unique behavior of ferrocene moiety as redox active site"
     S. Kuriyama, K. Arashiba, K. Nakajima, H. Tanaka, K. Yoshizawa, and Y. Nishibayashi, Chem. Sci., 6, 3940-3951 (2015).
     DOI:10.1039/C5SC00545K
328. "Proton-Assisted Mechanism of NO Reduction on a Dinuclear Ruthenium Complex"
     T. Suzuki, H. Tanaka, Y. Shiota, P. K. Sajith, Y. Arikawa, and K. Yoshizawa, Inorg. Chem., 54, 7181-7191 (2015)
     DOI:10.1021/acs.inorgchem.5b00394
329. "Synergic Catalysis of PdCu Alloy Nanoparticles within a Macroreticular Basic Resin for Hydrogen Production from Formic Acid"
     K. Mori, H. Tanaka, M. Dojo, K. Yoshizawa, and H. Yamashita, Chem. Eur. J., 21, 12085-12092 (2015)
     DOI:10.1002/chem.201501760
330. "cis-1,2-Aminohydroxylation of Alkenes Involving a Catalytic Cycle of Osmium(III) and Osmium(V) Centers: OsV(O)(NHTs) Active Oxidant with a Macrocyclic Tetradentate Ligand"
     H. Sugimoto, A. Mikami, P. K. Sajith, Y. Shiota, K. Yoshizawa, K. Asano, T. Suzuki, and S. Itoh, Inorg. Chem., 54, 7073-7082 (2015).
     DOI:10.1021/acs.inorgchem.5b01083
331. "Formation and Nitrile Hydrogenation Performance of Ru Nanoparticles on a K-doped Al2O3 Surface"
     S. Muratsugu, S. Kityakarn, F. Wang, N. Ishiguro, T. Kamachi, K. Yoshizawa, O. Sekizawa, T. Uruga, and T. Mizuki, Phys. Chem. Chem. Phys., 17, 24791-24802 (2015).
     DOI:10.1039/C5CP03456F
332. "Redox Non-Innocent Behavior of Tris(2-Pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation"
     H. Kotani, T. Sugiyama, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima, J. Am. Chem. Soc., 137, 11222-11225 (2015).
     DOI:10.1021/jacs.5b06237
333. "Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions"
     T. Tada, and K. Yoshizawa, Phys. Chem. Chem. Phys., 17, 32099-32110 (2015)
     DOI:10.1039/C5CP05423K
334. "Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex"
     S.-Q. Su, T. Kamachi, Z.-S. Yao, Y.-G. Huang, Y. Shiota, K. Yoshizawa, N. Azuma, Y. Miyazaki, M. Nakano, G. Maruta, S. Takeda, S. Kang, S. Kanegawa, and O. Sato, Nature Commun., 6, 8810/1-7 (2015)
     DOI:10.1038/ncomms9810

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2014

304. "Hydrogen Atom Abstraction Reactions Independent of C-H Bond Dissociation Energies of Organic Substrates in Water: Significance of Oxidant-Substrate Adduct Formation"
     T. Ishizuka, S. Ohzu, H. Kotani, Y. Shiota, K. Yoshizawa, and T. Kojima, Chem. Sci., 5, 1429-1436 (2014).
     DOI:10.1039/C3SC53002G
305. "Enantioselective Alkylation by Binaphthyl Chiral Phase-Transfer Catalysts: A DFT-Based Conformational Analysis"
     T. Kamachi, and K. Yoshizawa, Org. Lett., 16, 472-472 (2014).
     DOI:10.1021/ol4033545
306. "Mechanism of N–H Bond Cleavage of Aniline by a Dearomatized PNP-Pincer Type Phosphaalkene Complex of Iridium(I)"
     Y.-H. Chang, Y. Nakajima, H. Tanaka, K. Yoshizawa, and F. Ozawa, Organometallics, 33, 715-721 (2014).
     DOI:10.1021/om401053j
307. "Unique Behavior of Dinitrogen-Bridged Dimolybdenum Complexes Bearing PNP Pincer Ligand toward Catalytic Reduction of Molecular Dinitrogen into Ammonia"
     H. Tanaka, K. Arashiba, S. Kuriyama, A. Sasada, K. Nakajima,
     K. Yoshizawa, and Y. Nishibayashi, Nature Commun, 5, 3737/1-11 (2014).
     DOI:10.1038/ncomms4737
308. "Roles of Carboxylate Donors in O-O Bond Scission of Peroxodiiron(III) to High-Spin Oxodiiron(IV) with a New Carboxylate-Containing Dinucleating Ligand"
     M. Kodera, T. Tsuji, T. Yasunaga, Y. Kawahara, T. Hirano, Y. Hitomi, T. Nomura, T. Ogura, Y. Kobayashi, Sajith P. K., Y. Shiota, and
     K. Yoshizawa, Chem. Sci., 5, 2282-2292 (2014).
     DOI:10.1039/C3SC51541A
309. "Role of Acidic Proton in the Decomposition of NO over Dimeric Cu(I) Active Sites in Cu-ZSM-5 Catalyst: A QM/MM Study"
     Sajith P. K., Y. Shiota, and K. Yoshizawa, ACS Catal., 4, 2075-2085 (2014).
     DOI:10.1021/cs500223z
310. "Computational Mutation Design of Diol Dehydratase: Catalytic Ability toward Glycerol beyond the Wild-Type Enzyme"
     K. Doitomi, H. Tanaka, T. Kamachi, T. Toraya, and K. Yoshizawa, Bull. Chem. Soc. Jpn., 87, 950-959 (2014).
     DOI:10.1246/bcsj.20140115
311. "Catalytic Formation of Ammonia from Molecular Dinitrogen by use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand"
     S. Kuriyama, K. Arashiba, K. Nakajima, H. Tanaka, N. Kamaru, K. Yoshizawa, and Y. Nishibayashi, J. Am. Chem. Soc., 136, 9719-9731 (2014).
     DOI:10.1021/ja5044243
312. "Binding of Scandium Ions to Metalloporphyrin–Flavin Complexes for Long-Lived Charge Separation"
     T. Kojima, R. Kobayashi, T. Ishizuka, S. Yamakawa, H. Kotani, T. Nakanishi, K. Ohkubo, Y. Shiota, K. Yoshizawa, and S. Fukuzumi, Chem. Eur. J., 20, 15518-15532 (2014).
     DOI:10.1002/chem.201403960
313. "Molecular Motor-driven Abrupt Anisotropic Shape Change in a Single Crystal of a Ni Complex"
     Z.-S. Yao, M. Mito, T. Kamachi, Y. Shiota, K. Yoshizawa, N. Azuma, Y. Miyazaki, K. Takahashi, K. Zhang, T. Nakanishi, S. Kang, S. Kanegawa, and O. Sato, Nature Chem., 6, 1079-1083 (2014).
     DOI:10.1038/nchem.2092
314. "Cleavage and Formation of Molecular Dinitrogen in a Single System Assisted by Molybudenum Complexes Bearing Ferrocenyldiphosphine"
     T. Miyazaki, H. Tanaka, Y. Tanabe, M. Yuki, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi, Angew. Chem. Int. Ed., 53, 11488-11492 (2014).
     DOI:10.1002/anie.201405673
315. "QSAR Study on the Inhibition Mechanism of Matrix Metalloproteinase-12 by Arylsulfone Analogues Based on Molecular Orbital Calculations"
     S. Hitaoka, H. Chuman, and K. Yoshizawa, Org. Biomol. Chem., 13, 793-806 (2014).
     DOI:10.1039/C4OB01843E
316. "Photoswitching of Conductance through Salicylidene Methylamine"
     A. Staykov, M. Watanabe, T. Ishihara, and K. Yoshizawa, J. Phys. Chem. C, 118, 27539-27548 (2014).
     DOI:10.1021/jp5081884
317. "A Tetranuclear Ru(II) Complex with a Dinucleating Ligand Forming Multi-Mixed-Valence States"
     S. Ohzu, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, and T. Kojima, Inorg. Chem., 53, 12677-12679 (2014).
     DOI:10.1021/ic502422u

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2013

289. "DFT Study of the Mechanism for Methane Hydroxylation by Soluble Methane Monooxygenase (sMMO): Effects of Oxidation State, Spin State, and Coordination Number"
     S.-P. Huang, Y. Shiota, and K. Yoshizawa, Dalton Trans., 42, 1011-1023 (2013).
     DOI:10.1039/C2DT31304A
290. "Thiophene-Fused Bisdehydro[12]annulene that Undergoes the [2+2] Alkyne Cycloaddition by Either Light or Heat"
     A. Fukazawa, H. Oshima, Y. Shiota, S. Takahashi, K. Yoshizawa, and S. Yamaguchi, J. Am. Chem. Soc., 135, 1731-1734 (2013).
     DOI:10.1021/ja3126849 Selected as “SYNFACTS, S002113SF”
291. "Heteronuclear RuIIAgI Complexes Having a Pyrroloquinolinequinone (PQQ) Derivative as a Bridging Ligand"
     H. Mitome, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima, Inorg. Chem., 52, 2274-2276 (2013).
     DOI:10.1021/ic302617b
292. "Complete Photochromic Structural Change of Ruthenium(II)-Diimine Complexes Based on the Control of the Excited States by Metallation"
     T. Sawaki, T. Ishizuka, M. Kawano, Y. Shiota, K. Yoshizawa, and T. Kojima, Chem. Eur. J., 19, 8978-8990 (2013).
     DOI:10.1002/chem.201300437
293. "Multiply-Fused Porphyrins—Effects of Extended π-Conjugation on the Optical and Electrochemical Properties"
     T. Ishizuka, Y. Saegusa, Y. Shiota, K. Ohtake, K. Yoshizawa, and T. Kojima, Chem. Commun. , 49, 5939-5941 (2013).
     DOI:10.1039/C3CC42831A
294. "Role of Tyrosine Residue in Methane Activation at the Dicopper Site of pMMO: A DFT Study"
     Y. Shiota, G. Juhász, and K. Yoshizawa, Inorg. Chem. , 52, 7907-7917 (2013).
     DOI:10.1021/ic400417d
295. "Bipod Dicyano Anchor Unit for Single Molecular Spintronic Devices"
     Y. Tsuji, T. Semoto, and K. Yoshizawa, ChemPhysChem, 14, 2470-2475 (2013).
     DOI:10.1002/cphc.201300136
296. "Asymmetric Diarylethene as a Dual-Functional Device Combining Switch and Diode"
     Y. Tsuji, J. Koga, and K. Yoshizawa, Bull. Chem. Soc. Jpn., 86, 947-954 (2013).
     DOI:10.1246/bcsj.20130089
297. "Facile N–H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Non-innocent PNP-Pincer Type Phosphaalkene Ligand"
     Y.-H. Chang, Y. Nakajima, H. Tanaka, K. Yoshizawa, and F. Ozawa, J. Am. Chem. Soc., 135, 11791-11794 (2013).
     DOI:10.1021/ja407163z
298. "Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds"
     S. Huang, Q. Zhang, Y. Shiota, T. Nakagawa, H. Kuwabara, K. Yoshizawa, and C. Adachi, J. Chem. Theor. Comp., 9, 3872-3877 (2013).
     DOI:10.1021/ct400415r
299. "Multi-Step Spin Crossover Accompanied by Symmetry Breaking in an Fe(III) Complex: Crystallographic Evidence and DFT Studies"
     Z.-Y. Li, J.-W. Dai, Y. Shiota, K. Yoshizawa, S. Kanegawa, and O. Sato, Chem. Eur. J., 19, 12948-12952 (2013).
     DOI:10.1002/chem.201302272
300. "Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal–Oxo Species"
     K. Yoshizawa, Bull. Chem. Soc. Jpn.,86, 1083-1116 (2013).
     10.1246/bcsj.20130127 Submitted as an “Award Account”
301. "Oxidation of Silanes to Silanols on Pd Nanoparticles: H₂ Desorption Accelerated by Surface Oxygen Atom"
     T. Kamachi, K. Shimizu, D. Yoshihiro, K. Igawa, K. Tomooka, and K. Yoshizawa, J. Phys. Chem. C, 117, 22967-22973 (2013).
     DOI:10.1021/jp408269s
302. "Light-induced Spin-crossover Actuated Single-chain Magnet"
     T. Liu, H. Zheng, S. Kang, Y. Shiota, S. Hayami, M. Mito, O. Sato, K. Yoshizawa, S. Kanegawa, and C. Duan Nature Commun., 4, 2826/1-6 (2013).
     DOI:10.1038/ncomms3826
303. "Role of Edge Oxygen Atoms on the Adhesive Interaction between Carbon Fiber and Epoxy Resin"
     T. Semoto, Y. Tsuji, H. Tanaka, and K. Yoshizawa, J. Phys. Chem. C, 117, 24830-24835 (2013).
     DOI:10.1021/jp407835d

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2012

268. "Initial Step of B12-Dependent Enzymatic Catalysis: Energetic Implications Regarding Involvement of One-electron Reduced Form of Adenosylcobalamin Cofactor"
     P. M. Kozlowski, T. Kamachi, M. Kumar, and K. Yoshizawa, J. Biol. Inorg. Chem., 17, 293-300 (2012).
     DOI:10.1007/s00775-011-0850-3
269. "Mechanistic Insight into the Cleavage of an Aromatic C–C Bond by Tungsten"
     J. Li, and K. Yoshizawa, Chem. Eur. J., 16,783-787 (2012).
     DOI:10.1002/chem.201101899
270. "Orbital Views on Electron Transport Properties of Cyclophanes: Insight into Intermolecular Transport"
     X. Li, A. Staykov, and K. Yoshizawa, Bull. Chem. Soc. Jpn, 85, 181-188 (2012).
     DOI:10.1246/bcsj.20110256 Received "BCSJ Award"
271. "Molecular Rectifier Based on π-π Stacked Charge Transfer Complex"
     Y. Tsuji, A. Staykov, and K. Yoshizawa, J. Phys. Chem. C, 116, 2575-2580 (2012).
     DOI:10.1021/jp209547a
272. "Reductive Elimination Reaction Pathway for Methylcobalamin-mediated Homocysteine to Methionine Conversion: Mechanistic Ramifications for the Catalytic Cycle of Cobalamin-Dependent Methionine Synthase"
     P. M. Kozlowski, T. Kamachi, M. Kumar, and K. Yoshizawa, J. Biol. Inorg. Chem., 17, 611-619 (2012).
     DOI:10.1007/s00775-012-0881-4
273. "Reversible Electron Transfer in a Linear {Fe2Co} Trinuclear Complex Induced by Thermal Treatment and Photoirradiation"
     T. Liu, D.-P. Dong, S. Kanegawa, S. Kang, O. Sato, Y. Shiota, K. Yoshizawa, S. Hayami, S. Wu, and C.-Y. Duan, Angew. Chem., Int. Ed., 51, 4367-4370 (2012).
     DOI:10.1002/anie.201201305
274. "Naphthalene and Anthracene Complexes Sandwiched by Two Cp*FeI Fragments: Strong Electronic Coupling Between the FeI Centers"
     T. Hatanaka, Y. Ohki, T. Kamachi, T. Nakayama, K. Yoshizawa, M. Katada, and K. Tatsumi, Chem. Asian J., 7, 1231-1242 (2012).
     DOI:10.1002/asia.201101037 Selected as "Cover Article"
275. "Substrate Specificity of Fluoroacetate Dehalogenase: An Insight from Crystallographic Analysis, Fluorescence Spectroscopy, and Theoretical Computations"
     T. Nakayama, T. Kamachi, K. Jitsumori, R. Omi, K. Hirotsu, N. Esaki, T. Kurihara, and K. Yoshizawa, Chem. Eur. J., 18, 8392-8402 (2012).
     DOI:10.1002/chem.201103369
276. "Molecular Understanding of the Adhesive Force between a Metal Oxide Surface and an Epoxy Resin: Effects of Surface Water"
     T. Semoto, Y. Tsuji, and K. Yoshizawa, Bull. Chem. Soc. Jpn., 85, 672-678 (2012).
     DOI:10.1246/bcsj.20120028 Received "BCSJ Award"
277. "Substituent Effects in Thermal Reactions of a Silene with Silyl-Substituted Alkynes: A Theoretical Study"
     H. Tanaka, Y. Shiota, K. Hori, A. Naka, M. Ishikawa, and K. Yoshizawa, Organometallics, 31, 4737-4747 (2012).
     DOI:10.1021/om300310g
278. "Orbital Determining Spintronic Propertie of a π-Conjugated System"
     Y. Tsuji, A. Staykov, and K. Yoshizawa, J. Phys. Chem. C, 116, 16325-16332 (2012).
     DOI:10.1021/jp305448q
279. "Oxygen Activation on Nanometer-Size Gold Nanoparticles"
     A. Staykov, T. Nishimi, K. Yoshizawa, and T. Ishihara, J. Phys. Chem. C, 116, 15992-16000 (2012).
     DOI:10.1021/jp301898t
280. "Current Rectification in Nitrogen and Boron Doped Nanographenes and Cyclophanes"
     A. Staykov, X. Li, Y. Tsuji, and K. Yoshizawa, J. Phys. Chem. C, 116, 18451-18459 (2012).
     DOI:10.1021/jp303843k
281. "Quantum mechanical/molecular mechanical study of a mechanism for heme oxidation by heme oxygenase"
     T. Kamachi, T. Nishimi, and K. Yoshizawa, Dalton Trans., 41, 11642-11650 (2012).
     DOI:10.1039/C2DT30777D
282. "An Orbital Rule for Electron Transport in Molecules"
     K. Yoshizawa, Acc. Chem. Res., 45, 1612-1621 (2012).
     DOI:10.1021/ar300075f
283. "Orbital Control of Single-Molecule Conductance Perturbed by π-accepting Anchor Groups: Cyanide and Isocyanide"
     J. Koga, Y. Tsuji, and K. Yoshizawa, J. Phys. Chem. C, 116, 20607-20616 (2012).
     DOI:10.1021/jp3068156
284. "Surface Oxygen Atom as Cooperative Ligand in Pd Nanoparticles Catalysis for Selective Hydration of Nitriles to Amides in Water: Experimental and Theoretical Studies"
     K. Shimizu, T. Kubo, A. Satsuma. T. Kamachi, and K. Yoshizawa, ACS Catalysis, 2, 2467-2474 (2012).
     DOI:10.1021/cs3006154
285. "Inactivation Mechanism of Glycerol Dehydration by Diol Dehydratase from Combined QM/MM Calculations"
     K. Doitomi, T. Kamachi, T. Toraya, and K. Yoshizawa, Biochemistry, 51, 9202-9210 (2012).
     DOI:10.1021/bi300488u
286. "Iron-Catalyzed Transformation of Molecular Dinitrogen into Silylamine under Ambient Conditions"
     M. Yuki, H. Tanaka, K. Sasaki, Y. Miyake, K. Yoshizawa, and Y. Nishibayashi, Nature Commun., 3, 1254/1-6 (2012).
     DOI:10.1038/ncomms2264
287. "Current Rectification through π-π Stacking in Multilayered Donor-Acceptor Cyclophanes"
     Y. Tsuji and K. Yoshizawa, J. Phys. Chem. C, 116, 26625-26635 (2012).
     DOI:10.1021/jp308849t
288. "Hydrolytic Enantioselective Protonation of Dienyl Esters and a Racemic β-Diketone with Chiral Phase-Transfer Catalysts"
     E. Yamamoto, D. Gokuden, A. Nagai, T. Kamachi, K. Yoshizawa, A. Hamasaki, T. Ishida, and M. Tokunaga, Org. Lett., 14, 6178-6181 (2012).
     DOI:10.1021/ol3027363

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2011

248. "Electrochemical and Photochemical Cyclization and Cycloreversion of Diarylethenes and Diarylethene-Capped Sexithiophene Wires"
     A. Staykov, J. Areephong, W. Browne, B. Feringa, and K. Yoshizawa, ACS Nano, 5, 1165-1178 (2011).
     DOI:10.1021/nn102806z
249. "Phosphine Sulfides as an Anchor Unit for Single Molecule Junction"
     A. Fukazawa, M. Kiguchi, S. Tange, Y. Ichihashi, Q. Zhao, T. Takahashi, T. Konishi, K. Murakoshi, Y. Tsuji, A. Staykov, K. Yoshizawa, and S. Yamaguchi, Chemistry Letters, 40, 174-176 (2011).
     DOI:10.1246/cl.2011.174
250. "Molybdenum-Catalyzed Transformation of Molecular Dinitrogen into Silylamine: Experimental and DFT Study on Remarkable Role of Ferrocenyldiphosphine Ligands"
     H. Tanaka, A. Sasada, T. Kouno, M. Yuki, Y. Miyake, H. Nakanishi, Y. Nishibayashi, and K. Yoshizawa, Journal of the American Chemical Society, 133, 3498-3506 (2011).
     DOI:10.1021/ja109181n
251. "Conductance through Short DNA Molecules"
     A. Staykov, Y. Tsuji, and K. Yoshizawa, Journal of Physical Chemistry C, 115, 3481-3490 (2011).
     DOI:10.1021/jp110803a
252. "Catalytic Roles of the Metal Ion in the Substrate-Binding Site of Coenzyme B12-Dependent Diol Dehydratase"
     T. Kamachi, K. Doitomi, M. Takahata, T. Toraya, and K. Yoshizawa, Inorganic Chemistry, 50, 2944-2952 (2011).
     DOI:10.1021/ic102352b
253. "Generation of Adenosyl Radical from S-Adenosylmethionine (SAM) in Biotin Synthase"
     T. Kamachi, T. Kouno, K. Doitomi, and K. Yoshizawa, Journal of Inorganic Biochemistry, 105, 850-857 (2011).
     DOI:10.1016/j.jinorgbio.2011.03.013
254. "Orbital Views of Molecular Conductance Perturbed by Anchor Units"
     Y. Tsuji, A. Staykov, and K. Yoshizawa, Journal of the American Chemical Society, 133, 5955-5960 (2011).
     DOI:10.1021/ja111021e
255. "Mechanistic Insights of Photochromic Behaviors with a Ruthenium(II)-Pterin Complex"
     T. Ishizuka, T. Sawaki, S. Miyazaki, M. Kawano, Y. Shiota, K. Yoshizawa, S. Fukuzumi, and T. Kojima, Chemistry – A European Journal, 17, 6652-6662 (2011).
     DOI:10.1002/chem.201003522.
256. "Theoretical Study of the Decomposition and Hydrogenation of H2O2 on Pd and Pd/Au Surfaces: Understanding toward High Selectivity of H2O2 Synthesis"
     J. Li, A. Staykov, T. Ishihara, and K. Yoshizawa, Journal of Physical Chemistry C, 115, 7392-7398 (2011).
     DOI:10.1021/jp1070456
257. "Mechanistic Study on the Production of Hydrogen Peroxide in the Anthraquinone Process"
     T. Nishimi, T. Kamachi, K. Kato, T. Kato, and K. Yoshizawa, European Journal of Organic Chemistry, 22, 4113-4120 (2011).
     DOI:10.1002/ejoc.201100300
     Selected as "Cover Article"
258. "Theoretical Study on the Formation of Silacyclopropene from Acylsilane and Acetylene via Silene-to-Silylene Rearrangement"
     H. Tanaka, Y. Kondo, Y. Shiota, A. Naka, M. Ishikawa, and K. Yoshizawa, Organometallics, 30, 3160-3167 (2011).
     DOI:10.1021/om2002393
259. "Molecular Understanding of the Adhesive Force between Metal Oxide Surface and Epoxy Resin"
     T. Semoto, Y. Tsuji, and K. Yoshizawa, Journal of Physical Chemistry C, 115, 11701-11708 (2011).
     DOI:10.1021/jp202785b
260. "Theoretical Study of Oxidation of Cyclohexane Diol to Adipic Anhydride by RuIVO tpa complex (tpa = Tris(2-pyridylmethyl)amine)"
     Y. Shiota, J. M. Herrera, G. Juhász, T. Abe, S. Ohzu, T. Ishizuka, T. Kojima, and K. Yoshizawa, Inorganic Chemistry, 50, 6200-6209 (2011).
     DOI:10.1021/ic200481n
261. "Dependence of Single-Molecule Conductance on Molecule Junction Symmetry"
     M. Taniguchi, M. Tsutsui, R. Mogi, T. Sugawara, Y. Tsuji, K. Yoshizawa, and T. Kawai, Journal of the American Chemical Society, 133, 11426-11429 (2011).
     DOI:10.1021/ja2033926
262. "Orbital Views of the Electron Transport through Heterocyclic Aromatic Hydrocarbons"
     X. Li, A. Staykov, and K. Yoshizawa, Theoretical Chemistry Accounts, 50, 6200-6209 (2011).
     DOI:10.1007/s00214-011-0968-y
263. "Silicon–carbon unsaturated compounds. 77. Thermal behavior of cis- and trans-1-silacyclobut-3-ene formed from Pivaloyl[tert-butylbis(trimethylsilyl)]silane and tert-butylacetylene"
     A. Naka, H. Kawasaki, H. Fujimoto, K. Yoshizawa, and M. Ishikawa, Journal of Organometallic Chemistry, 696, 3693-3696 (2011).
     DOI:10.1016/j.jorganchem.2011.08.018
264. "Catalytic Hydrogenation of Carbon Dioxide with a Highly Active Hydride on Ir(III)–Pincer Complex: Mechanism for CO2 Insertion and Nature of Metal–Hydride Bond"
     J. Li, and K. Yoshizawa, Bulletin of the Chemical Society of Japan, 84, 1039-1048 (2011).
     DOI:10.1246/bcsj.20110128
     "Selected Paper."
265. "Computational Evidences for Hydrogen Generation via Reductive Cleavage of Water and α-H Abstraction on a Molybdenum Complex"
     J. Li, and K. Yoshizawa, Angewandte Chemie International Edition, 50,11972-11975 (2011).
     DOI:10.1002/anie.201102917
266. "Proton-Coupled Electron Shuttling in a Covalently Linked Ruthenium-Copper Heterodinuclear Complex"
     T. Ishizuka, K. Tobita, Y. Yano, Y. Shiota, K. Yoshizawa, S. Fukuzumi, and T. Kojima, Journal of the American Chemical Society, 133, 18570-18573 (2011).
     DOI:10.1021/ja208141b
267. "Theoretical Revisit of the Direct Synthesis of H2O2 on Pd and Au@Pd Surfaces: A Comprehensive Mechanistic Study"
     J. Li, T. Ishihara, and K. Yoshizawa, Journal of Physical Chemistry C, 115, 7392-7398 (2011).
     DOI:10.1021/jp208118e

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2010

240. "DFT study on Activation and Protonation of Dinitrogen on Cubane-Type MIr3S4 Clusters (M = V, Cr, Mn, Fe, Co, Ni, Cu, Mo, Ru, and W)"
     H. Tanaka, F. Ohsako, H. Seino, Y. Mizobe and K. Yoshizawa, Inorganic Chemistry, 49, 2464-2470 (2010).
     DOI:10.1021/ic902414n
241. "Theoretical Analysis of Diradical Nature of Adenosylcobalamin Cofactor–Tyrosine Complex in B12-Dependent Mutases: Inspiring PCET Driven Enzymatic Catalysis"
     P. M. Kozlowski, T. Kamachi, M. Kumar, T. Nakayama, and K. Yoshizawa, Journal of Physical Chemistry B, 114, 5928-5939 (2010).
     DOI:10.1021/jp100573b
242. "Synthesis and Characterization of Ruthenium(II)-Pyridylamine Complexes with Catechol Pendants as Metal Binding Sites"
     T. Kojima, N. Hirasa, D. Noguchi, S. Miyazaki, Y. Shiota, K. Yoshizawa, and S. Fukuzumi, Inorganic Chemistry, 49, 3737-3745 (2010).
     DOI:10.1021/ic902070q
243. "Theoretical Study of Thermal Spin Transition between the Singlet State and the Quintet State in the [Fe(2-pic)3]2+ Spin Crossover System (2-pic: 2-picolylamine)"
     Y. Shiota, D. Sato, G. Juhász, and K. Yoshizawa, Journal of Physical Chemistry A, 114, 5862-5877 (2010).
     DOI:10.1021/jp9122002
244. "Orbital Views of the Electron Transport through Polycyclic Aromatic Hydrocarbons with Different Molecular Sizes and Edge Type Structures"
     X. Li, A. Staykov, and K. Yoshizawa, Journal of Physical Chemistry C, 114, 9997-10003 (2010).
     DOI:10.1021/jp102280r
245. "Mixed-Metal Complex [Fe(bipe)(Au(CN)2)2MeOH] with Gold Clusters: A Novel Two-Dimensional Polyrotaxane Net Clipped by Aurophilic Interaction"
     H. Xu, G. Juhász, K. Yoshizawa, M. Takahashi, S. Kanegawa, and O. Sato, Crystal Engineering Communications, 12, 4031-4034 (2010).
     DOI:10.1039/C0CE00376J
246. "A Low-Spin Ruthenium(IV)-Oxo Complex: Does the Spin State Have Impact on the Reactivity?"
     T. Kojima, Y. Hirai, Y. Shiota, K. Yoshizawa, K. Ikemura, T. Ogura, and S. Fukuzumi, Angewandte Chemie International Edition, 49, 8449-8453 (2010).
     DOI:10.1002/anie.201002733
247. "Theoretical Study of the Mechanism of Valence Tautomerism in Cobalt Complexes"
     D. Sato, Y. Shiota, G. Juhász, and K. Yoshizawa, Journal of Physical Chemistry A, 114, 12928-12935 (2010).
     DOI:10.1021/jp107391x

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2009

228. "Comparison of the Reactivity of Bis(µ-oxo)CuIICuIII and CuIIICuIII Species to Methane"
     Y. Shiota, and K. Yoshizawa, Inorganic Chemistry, 48, 838-845 (2009).
229. "Photochemical Reversibility of Ring-Closing and Ring-Opening Reactions in Diarylperfluorocyclopentenes"
     A. Staykov, and K. Yoshizawa, Journal of Physical Chemistry C, 113, 3826-3834 (2009).
230. "Bistability of Magnetization without Spin-Transition in a High-Spin Cobalt(II) Complex due to Angular Momentum Quenching"
     G. Juhász, R. Matsuda, S. Kanegawa, K. Inoue, O. Sato, and K. Yoshizawa, Journal of the American Chemical Society, 131, 4560-4561 (2009).
231. "DFT Study on N2 Activation by a Hydride-Bridged Diniobium Complex. N≡N Bond Cleavage Accompanied by H2 Evolution"
     H. Tanaka, Y. Shiota, T. Matsuo, H. Kawaguchi, and K. Yoshizawa, Inorganic Chemistry, 48, 3875–3881 (2009).
232. "What is the Identity of the Metal Ions in the Active Sites of Coenzyme B12-Dependent Diol Dehydratase? A Computational Mutation Analysis"
     T. Kamachi, M. Takahata, T. Toraya, and K. Yoshizawa, Journal of Physical Chemistry B, 113, 8435-8438 (2009).
     Selected as "Cover Article"
233. "Catalytic Mechanism of Fluoroacetate Dehalogenase: Computational Exploration of the Biological Dehalogenation"
     T. Kamachi, T. Nakayama, O. Shitamichi, K. Jitsumori, T. Kurihara, N. Esaki, and K. Yoshizawa, Chemistry-A European Journal, 15, 7394-7403 (2009).
234. "Orbital View Concept Applied on Photoswitching Systems"
     Y. Tsuji, A. Staykov, and K. Yoshizawa, Thin Solid Films, 518, 264-267 (2009).
235. "Metal–Ligand Cooperation in H2 Production and H2O Decomposition on a Ru(II) PNN Complex: the Role of Ligand Dearomatization–Aromatization"
     J. Li, Y. Shiota, and K. Yoshizawa, Journal of the American Chemical Society, 131, 13584-13585 (2009).
236. "Stereochemistry of Disilanylene–Containing Cyclic Compounds. Synthesis and Palladium–Catalyzed Reactions of cis- and trans-3,4-Benzo-1,2-diisopropyl-1,2-dimethyl-1,2-disilacyclobut-3-ene"
     A. Naka, J. Sakata, J. Ikadai, H. Kawasaki, J. Ohshita, A. Kunai, K. Yoshizawa, and M. Ishikawa, Zeitschrift für Naturforschung B, 64, 1580-1590 (2009).
237. "Nickel(II), Palladium(II), and Platinum(II) η3-Allyl Complexes Bearing a Bidentate Titanium(IV) Phosphinoamide Ligand: A Ti-M2 Dative Bond Enhances the Electrophilicity of the π-Allyl Moiety"
     H. Tsutsumi, Y. Sunada, Y. Shiota, K. Yoshizawa, and H. Nagashima, Organometallics, 28, 1988-1991 (2009).
238. "Silicon-Carbon Unsaturated Compounds. 76. Photochemical and Thermal Behavior of 1-Silacyclobut-3-enes Generated from the Reaction of Pivaloyltris(trimethylsilyl)silane with tert-Butylacetylene"
     A. Naka, N. Senba, S. Motoike, H. Fujimoto, T. Miura, H. Kobayashi, K. Yoshizawa, and M. Ishikawa, Organometallics, 28, 5641-5646 (2009).
239. "Orbital Control of the Conductance Photoswitching in Diarylethene"
     Y. Tsuji, A. Staykov, and K. Yoshizawa, Journal of Physical Chemistry C, 113, 21477-21483 (2009).

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2008

217. "Theoretical Analysis of the Reaction Mechanism of Biotin Carboxylase"
     Y. Ito, H. Kondo, Y. Shiota, and K. Yoshizawa, Journal of Chemical Theory and Computation, 4, 366-374 (2008).
218. "Synthesis and Characterization of Novel Ferrocene-Containing Pyridylamine Ligand and Their Ruthenium(II) Complexes: Electronic Communication through Hydrogen-bonded Amide Linkage"
     T. Kojima, D. Noguchi, T. Nakayama, Y. Inagaki, Y. Shiota, K. Yoshizawa, K. Ohkubo, and S. Fukuzumi, Inorganic Chemistry, 47, 886-895 (2008).
219. "Silicon-Carbon Unsaturated Compounds. 74. Thermal Behavior of 1-Silacyclobut-3-enes Generated from the Reaction of Acylpolysilanes with tert-Butylacetylene"
     A. Naka, S. Motoike, N. Senbu, J. Ohshita, A. Kunai, K. Yoshizawa, and M. Ishikawa, Organometallics, 27, 2750-2755 (2008).
220. "DFT Study on Chemical N2 Fixation by Using a Cubane-Type RuIr3S4 Cluster: Energy Profile for Binding and Reduction of N2 to Ammonia via Ru–N–NHx (x = 1-3) Intermediates with Unique Structures"
     H. Tanaka, H. Mori, H. Seino, M. Hidai, Y. Mizobe, and K. Yoshizawa, Journal of the American Chemical Society, 130, 9037-9047 (2008).
221. "Rutenium-Catalyzed Selective and Efficient Oxygenation of Hydrocarbons with Water as an Oxygen Source"
     Y. Hirata, T. Kojima, Y. Mizutani, Y. Shiota, K. Yoshizawa, and S. Fukuzumi, Angewandte Chemie International Edition, 47, 5772-5776 (2008).
222. "Orbital Views of the Electron Transport in Molecular Devices"
     K. Yoshizawa, T. Tada, and A. Staykov, Journal of the American Chemical Society, 130, 9406-9413 (2008).
223. "Mechanism and Kinetics of Cyanide Decomposition by Ferrate"
     T. Kamachi, T. Nakayama, and K. Yoshizawa, Bulletin of the Chemical Society of Japan, 81, 1212-1218 (2008).
     "BCSJ Award" received.
224. "Theoretical Study of Long-Range Electron Transport in Molecular Junctions"
     D. Nozaki, Y. Girard, and K. Yoshizawa, Journal of Physical Chemistry C, 112, 17408-17415 (2008).
225. "Combined Experimental and Theoretical Approach to Understand the Reactivity of a Mononuclear Cu(II)–Hydroperoxo Complex in Oxygenation Reactions"
     T. Kamachi, Y.-M. Lee, T. Nishimi, J. Cho, K. Yoshizawa, and W. Nam, Journal of Physical Chemistry A, 112, 13102-13108 (2008).
226. "Quantum Chemical Approach to the Mechanism for the Biological Conversion of Tyrosine to Dopaquinone"
     T. Inoue, Y. Shiota, and K. Yoshizawa, Journal of the American Chemical Society, 130, 16890-16897 (2008).
227. "Theoretical Study of the Direct Synthesis of H2O2 on Pd and Pd/Au Surfaces"
     A. Staykov, T. Kamachi, T. Ishihara, and K. Yoshizawa, Journal of Physical Chemistry C, 112, 19501-19505 (2008).

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2007

210. "Does Cob(II)alamin Act as a Conductor in Coenzyme B12 Dependent Mutases?"
     P. M. Kozlowski, T. Kamachi, T. Toraya, and K. Yoshizawa, Angewandte Chemie International Edition, 46, 980-983 (2007).
211. "Vibronic Interaction in Metalloporphyrin π-Anion Radicals"
     K. Yoshizawa, T. Nakayama, T. Kamachi, and P. M. Kozlowski, Journal of Physical Chemistry A, 111, 852-857 (2007).
212. "Photoswitching of Conductivity through a Diarylperfluorocyclopentene Nanowire"
     A. Staykov, D. Nozaki, and K. Yoshizawa, Journal of Physical Chemistry C, 111, 3517-3521 (2007).
213. "Combined Experimental and Theoretical Evidence for Nonheme Iron(III)-Alkylperoxo Species as a Sluggish Oxidant in Oxygenation Reactions"
     M. S. Seo, T. Kamachi, T. Kouno, K. Murata, M. J. Park, K. Yoshizawa, and W. Nam, Angewandte Chemie International Edition, 46, 2291-2294 (2007).
214. "Theoretical Study of Donor-π-Bridge-Acceptor Unimolecular Rectifier"
     A. Staykov, D. Nozaki, and K. Yoshizawa, Journal of Physical Chemistry C, 111, 11699-11705 (2007).
215. "Computational Mutation Analysis of Coenzyme B12-Dependent Diol Dehydratase"
     T. Kamachi, T. Toraya, and K. Yoshizawa, Chemistry-A European Journal, 13, 7864-7873 (2007).
216. "DFT Analysis of Cubane-Type FeIr3S4 Clusters. Dinitrogen Binding and Activation at the Tetrahedral Fe Site"
     P. M. Kozlowski, Y. Shiota, S. Gomita, H. Seino, Y. Mizobe, and K. Yoshizawa, Bulletin of the Chemical Society of Japan, 80, 2323-2328 (2007).

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2006

202. "DFT Calculations of the Cubane-Type Mo2Ru2S4 Clusters. Stability of the Possible Dinitrogen Cluster and the Isolable Acetonitrile Cluster"
     K. Yoshizawa, N. Kihara, Y. Shiota, H. Seino, and Y. Mizobe, Bulletin of the Chemical Society of Japan, 79, 53-58 (2006).
203. "Catalytic Mechanism of Dopamine β-Monooxygenase Mediated by Cu(III)–Oxo"
     K. Yoshizawa, N. Kihara, T. Kamachi, and Y. Shiota, Inorganic Chemistry, 45, 4034-3041 (2006).
204. "How Axial Ligands Control the Reactivity of High-Valent Iron(IV)–Oxo Porphyrin π-Cation Radicals in Alkane Hydroxylation: A Computational Study"
     T. Kamachi, T. Kouno, W. Nam, and K. Yoshizawa, Journal of Inorganic Biochemistry, 100, 751-754 (2006).
205. "QM/MM Study on the Catalytic Mechanism of Benzene Hydroxylation over Fe–ZSM-5"
     Y. Shiota, K. Suzuki, and K. Yoshizawa, Organometallics, 25, 3118-3123 (2006).
206. "Non-Radical Mechanism for Methane Hydroxylation by Iron-Oxo Complexes"
     K. Yoshizawa, Accounts of Chemical Research, 39, 375-382 (2006).
207. "Conversion of Methane to Methanol at the Mononuclear and Dinuclear Copper Sites of Particulate Methane Monooxygenase (pMMO): A DFT and QM/MM Study"
     K. Yoshizawa, and Y. Shiota, Journal of the American Chemical Society, 128, 9873-9881 (2006).
208. "Theoretical Study of a Neutral, Doubly Protonated, and Doubly Deprotonated Porphyrin Dithiolate used as a Molecular Switch"
     Y. Girard, M. Kondo, and K. Yoshizawa, Chemical Physics, 327, 77-84 (2006).
209. "Quantum Size Effect of Finite-Length Carbon Nanotubes"
     T. Yumura, D. Nozaki, K. Hirahara, S. Bandow, S. Iijima, and K. Yoshizawa, Royal Society of Chemistry, Annual Reports Progress of Chemistry, Section C, 102, 71-91 (2006).

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2005

192. "Electronic Structures and Band Gaps of Chains and Sheets Based on Phenylacetylene Units"
     M. Kondo, D. Nozaki, M. Tachibana, T. Yumura, and K. Yoshizawa, Chemical Physics, 312, 289-297 (2005).
193. "Participation of Multioxidants in the pH Dependence of the Reactivity of Ferrate(VI)"
     T. Kamachi, T. Kouno, and K. Yoshizawa, Journal of Organic Chemistry, 70, 4380-4388 (2005).
194. "Computational Exploriation of the Catalytic Mechanism of Dopamine β-Monooxygenase: Modeling of Its Mononuclear Copper Active Sites"
     T. Kamachi, N. Kihara, Y. Shiota, and K. Yoshizawa, Inorganic Chemistry, 44, 4226-4236 (2005).
195. "Quantum Transport Effects in Copper(II) Phthalocyanine Sandwiched between Gold Nanoelectrodes"
     T. Tada, S. Hamayama, M. Kondo, and K. Yoshizawa, Journal of Physical Chemistry B, 109, 12443-12448 (2005).
196. "Mechanism for the Direct Oxidation of Benzene to Phenol"
     Y. Shiota, K. Suzuki, and K. Yoshizawa, Organometallics, 24, 3532-3538 (2005).
197. "A Theoretical Measurement of the Quantum Transport through an Optical Molecular Switch"
     M. Kondo, T. Tada, and K. Yoshizawa, Chemical Physics Letters, 412, 55-59 (2005).
198. "Water-Assisted Oxo Mechanism for Heme Metabolism"
     T. Kamachi, and K. Yoshizawa, Journal of the American Chemical Society, 127, 10686-10692 (2005).
199. "End-Cap Effects on Vibrational Structures of Finite-Length Carbon Nanotubes Related to C60"
     T. Yumura, D. Nozaki, S. Bandow, K. Yoshizawa, and S. Iijima, Journal of the American Chemical Society, 127, 11769-11776 (2005).
200. "Computational Study on Stable Structures, Formation Energies, and Conductance of Single Benzene-Ditiolate between Two Au Electrodes"
     S. Tanibayashi, T. Tada, S. Watanabe, and K. Yoshizawa, Japanese Journal of Applied Physics, 44, 7729-7731 (2005).
201. "Synthesis and Characterization of Ru(II)-Nitrile Complexes with Bisamide-TPA (TPA = tris(2-pyridylmethyl)amine)"
     T. Kojima, K. Hayashi, Y. Shiota, Y. Tachi, Y. Naruta, T. Suzuki, K. Uezu, and K. Yoshizawa, Bulletin of the Chemical Society of Japan, 78, 2152-2158 (2005).

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2004

178. "A Theoretical Study on Geometrical Features of Finite-Length Carbon Nanotubes Capped with Fullerene Hemisphare"
     T. Yumura, K. Harihara, S. Bandow, K. Yoshizawa, and S. Iijima, Chemical Physics Letters, 386, 38-43 (2004).
179. "How Heme Metabolism Occurs in Heme Oxygenase: Computational Study of Oxygen Donation Ability of the Oxo and Hydroperoxo Species"
     T. Kamachi, A. F. Shestakov, and K. Yoshizawa, Journal of the American Chemical Society, 126, 3672-3673 (2004).
180. "Reverse Exponential Decay of Electrical Transmission in Nanosizeed Graphite Sheets"
     T. Tada, and K. Yoshizawa, Journal of Physical Chemistry B, 108, 7565-7572 (2004).
181. "A Vibrational Analysis on Possible Peroxo Forms of Soluble Methane Monooxygenase"
     T. Yumura, and K. Yoshizawa, Bulletin of the Chemical Society of Japan, 77, 1305-1311 (2004).
182. "The Role of Fullerene Hemisphers in Determining Structural Features of Finite-Length Carbon Nanotubes"
     T. Yumura, S. Bandow, K. Yoshizawa, and S. Iijima, Journal of Physical Chemistry B, 108, 11426-11434 (2004).
183. "Molecular Orbital Engineering of Single-Molecular Light Emission"
     D. Nozaki and K. Yoshizawa, Chemical Physics Letters, 394, 194-197 (2004).
184. "Theoretical Study of Thermal Isomerization of Silacyclobutene to Cyclopropene"
     Y. Shiota, M. Yasunaga, A. Naka, M. Ishikawa, and K. Yoshizawa, Organometallics, 23, 4744-4749 (2004).
185. "Wire-Length Dependence of the Conductance of Oligo(p-phenylene) Dithiols: A Density Functional Theory Approach"
     M. Kondo, T. Tada, and K. Yoshizawa, Journal of Physical Chemistry A, 108, 9143-9149 (2004).
186. "Green's Function Formalism Coupled with Gaussian Broadening of Discrete States for Quantum Transport"
     T. Tada, M. Kondo, and K. Yoshizawa, Journal of Chemical Physics, 121, 8050-8057 (2004).
187. "QM/MM Study of the Mononuclear Non-heme Iron Active Site of Phenylalanine Hydroxylase"
     Y. Shiota, and K. Yoshizawa, Journal of Physical Chemistry B, 108, 17226-17237 (2004).
188. "Silicon-Carbon Unsasurated Compounds. 69. Reactions of Silenes Produced Thermally from Pivaloyl- and Adamantoyltris(trimethylsilyl)silane with Silyl-substituted Butadienes and Enynes"
     A. Naka, I. Miyahara, K. Hirotsu, Y. Shiota, K. Yoshizawa, and M. Ishikawa, Organometallics, 23, 4277-4287 (2004).
189. "Highly Versatile Organostibine Mediators for Living Radical Polymerization"
     S. Yamago, B. Ray, K. Iida, J. Yoshida, T. Tada, K. Yoshizawa, Y. Kwak, A. Goto, and T. Fukuda, Journal of the American Chemical Society, 126, 13908-13909 (2004).
190. "Oscillation of Conductance in Molecular Junctions of Polyacene and Polyphenanthrene"
     T. Tada, D. Nozaki, M. Kondo, S. Hamayama, and K. Yoshizawa, Journal of the American Chemical Society, 126, 14182-14189 (2004).
191. "Catalytic Roles of the Active Site Aminoacid Residues of Coenzyme B12-Dependent Diol Dehydratase: A Quantum Machanical/Molecular Mechanical Study"
     T. Kamachi, T. Toraya, and K. Yoshizawa, Journal of the American Chemical Society, 126, 16207-16216 (2004).

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2003

166. "A Spin-Orbit Coupling Study on the Spin Inversion Processes in the Direct Methane-to-Methanol Conversion by FeO+"
     Y. Shiota, and K. Yoshizawa, Journal of Chemical Physics, 118, 5872-5879 (2003).
167. "Does the Hydroperoxo Species of Cytochrome P450 Participate in Olefin Epoxidation with the Main Oxidant, Compound I? Criticism from Density Functional Theory Calculations"
     T. Kamachi, Y. Shiota, T. Ohta, and K. Yoshizawa, Bulletin of the Chemical Society of Japan, 76, 721-732 (2003).
168. "A Theoretical Study on the Mechanism of Camphor Hydroxylation by Compound I of Cytochrome P450"
     T. Kamachi and K. Yoshizawa, Journal of the American Chemical Society, 125, 4652-4661 (2003).
169. "A Non-Radical Mechanism for Methane Hydroxylation at the Diiron Active Site of Soluble Methane Monooxygenase"
     K. Yoshizawa and T. Yumura, Chemistry-A European Journal, 9, 2347-2358 (2003).
170. "A Theoretical Study of Reactivity and Regioselectivity in the Hydroxylation of Adamantane by Ferrate(VI)"
     Y. Shiota, N. Kihara, T. Kamachi, and K. Yoshizawa, Journal of Organic Chemistry, 68, 3958-3965 (2003).
171. "A Theoretical Study of Spin-Orbit Coupling in an Fe(II) Spin-Crossover Complex. Mechanism of the LIESST Effect"
     M. Kondo and K. Yoshizawa, Chemical Physics Letters, 372, 519-523 (2003).
172. "Quantum Transport Effects in Nanosized Graphite Sheets. II. Enhanced Transport Effects by Heteroatoms"
     T. Tada and K. Yoshizawa, Journal of Physical Chemistry B, 107, 8789-8793 (2003).
173. "Alkane Oxidation by VO2+ in the Gas Phase: A Unique Dependence of Reactivity on the Chain Length"
     M. Engeser, M. Schlangen, D. Schröder, H. Schwarz, T. Yumura, and K. Yoshizawa, Organometallics, 22, 3933-3943 (2003).
174. "Mechanistic Proposals for Direct Benzene Hydroxylation over Fe-ZSM-5 Zeolite"
     K. Yoshizawa, Y. Shiota, and T. Kamachi, Journal of Physical Chemistry B, 107, 11404-11410 (2003).
175. "Theoretical Measurements of Conductance in a DNA Molecule"
     T. Tada, M. Kondo, and K. Yoshizawa, European Journal of Chemical Physics and Physical Chemistry (ChemPhysChem), 4, 1256-1260 (2003).
176. "Orbital Interactions between a C60 Molecule and Cu(111) Surface"
     A. Ogawa, M. Tachibana, M. Kondo, K. Yoshizawa, H. Fujimoto, and R. Hoffmann, Journal of Physical Chemistry B, 107, 12672-12679 (2003).
177. "Molecular Orbital Interactions in the Nanostar Dendrimer"
     T. Tada, D. Nozaki, M. Kondo, and K. Yoshizawa, Journal of Physical Chemistry B, 107, 14204-14210 (2003).

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2002

152. "A Mechanistic Study on the Pt-Catalyzed Reaction between Disilacyclobutene and Acetylene"
     S.-Y. Kang, T. Yamabe, A. Naka, M. Ishikawa, and K. Yoshizawa, Organometallics, 21, 150-160 (2002).
153. "Mechanism for the Formaldehyde to Formic Acid and the Formic Acid to Carbon Dioxide Conversions Mediated by an Iron-Oxo Species"
     T. Yumura, T. Amenomori, Y. Kagawa, and K. Yoshizawa, Journal of Physical Chemistry A, 106, 621-630 (2002).
154. "Superconductivity in Acenes"
     T. Kato, M. Kondo, K. Yoshizawa, and T. Yamabe, Synthetic Metals, 126, 75-80 (2002).
155. "Theoretical Study on Kinetic Isotope Effects in the C-H Bond Activation of Alkanes by Iron-Oxo Species"
     K. Yoshizawa, Coordination Chemistry Reviews, 226, 251-259 (2002).
156. "Small Bandgap Polymers Involving Tricyclic Nonclassical Thiophene as a Building Block"
     M. Tachibana, S. Tanaka, Y. Yamashita, and K. Yoshizawa, Journal of Physical Chemistry B, 106, 3549-3556 (2002).
157. "Electron-Phonon Coupling in Negatively Charged Acene- and Phenanthrene-Edge Type Hydrocarbon Crystals"
     T. Kato, K. Yoshizawa, and K. Hirao, Journal of Chemical Physics, 116, 3420-3429 (2002).
158. "Silicon-Carbon Unsaturated Compounds. 65. Thermal and Photochemical Isomerization of Bis(trimethylsilyl)trimethylsiloxy-substituted Silacyclobut-3-ene"
     A. Naka, S. Motoike, J. Ikadai, K. Yoshizawa, Y. Kondo, S.-Y. Kang, and M. Ishikawa, Organometallics, 21, 2033-2035 (2002).
159. "Theoretical Predictions on the Mechanism of Catalysis of Coenzyme B12-Dependent Diol Dehydratase"
     M. Eda, T. Kamachi, K. Yoshizawa, and T. Toraya, Bulletin of the Chemical Society of Japan, 75, 1469-1481 (2002).
160. "Diagonal Silicon-Carbon Interaction in the [2 + 2] Cycloaddition of Silene and Acetylene"
     K. Yoshizawa, Y. Kondo, S.-Y. Kang, A. Naka, and M. Ishikawa, Organometallics, 21, 3271-3277 (2002).
161. "Possible Photoinduced Spin Transitions in Bis(phenylmethylenyl)[2.2]paracyclophanes. A Spin-Orbit Coupling Study"
     M. Kondo, Y. Shiota, and K. Yoshizawa, Journal of Physical Chemistry A, 106, 7915-7920 (2002).
162. "Second-Order Perturbational Analysis of the Interaction between Graphite Sheets"
     T. Yumura and K. Yoshizawa, Chemical Physics, 279, 111-131 (2002).
163. "Sulfur-Gold Orbital Interactions which Determine the Structure of Alkanethiolate/Au(111) Self-Assembled Monolayer Systems"
     M. Tachibana, K. Yoshizawa, A. Ogawa, H. Fujimoto, and R. Hoffmann, Journal of Physical Chemistry B, 106, 12727-12736 (2002).
164. "Quantum Transport Effects in Nanosized Graphite Sheets"
     T. Tada and K. Yoshizawa, European Journal of Chemical Physics and Physical Chemistry (ChemPhysChem), 3, 1035-1037 (2002).
165. "Density Functional Theory Study on the C-H Bond Activation of Alkane by Cytochrome P450"
     K. Yoshizawa, Proceedings of the Third International Conference on Oxygen and Life, 191-195 (2002).

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2001

135. "Synthesis and Stereochemistry of cis- and trans-3,4-Benzo-1,2-di(tert-butyl)-1,2-dimethyl-1,2-disilacyclobutene"
     M. Ishikawa, J. Ikadai, A. Naka, J. Ohshita, A. Kunai, K. Yoshizawa, S.-Y. Kang, and T. Yamabe, Organometallics, 20, 1059-1061 (2001).
136. "Regioselectivity in 2-Methylbutane Hydroxylation Mediated by FeO+ and FeO2+"
     T. Yumura and K. Yoshizawa, Organometallics, 20, 1397-1407 (2001).
137. "Vibronic Interactions and Jahn-Teller Effects in π-Conjugated Systems"
     T. Kato, T. Yamabe, and K. Yoshizawa, Synthetic Metals, 119, 217-218 (2001).
138. "A Theoretical Study of Alcohol Oxidation by Ferrate"
     T. Ohta, T. Kamachi, Y. Shiota, and K. Yoshizawa, Journal of Organic Chemistry, 66, 4122-4131 (2001).
139. "Vibronic Interaction in a Copper Oxide Cluster"
     T. Kato, M. Kondo, M. Tachibana, T. Yamabe, and K. Yoshizawa, Chemical Physics, 271, 32-40 (2001).
140. "Reaction Pathways for the He, Li, and Li+ Penetrations of the Benzene Ring"
     T. Yumura, Y. Shiota, and K. Yoshizawa, JCPE Journal, 13, 169-176 (2001).
141. "Electronic Structures of Gold Nanotubes"
     A. Hasegawa, K. Yoshizawa, and K. Hirao, Chemical Physics Letters, 345, 367-371 (2001).
142. "Configurational Inversion of the Tetrahedral Molecules CH4, SiH4, and GeH4"
     K. Yoshizawa and A. Suzuki, Chemical Physics, 271, 41-54 (2001).
143. "A Theoretical Study of the Dynamic Behavior of Alkane Hydroxylation by a Compound I Model of Cytochrome P450"
     K. Yoshizawa, T. Kamachi, and Y. Shiota, Journal of the American Chemical Society, 123, 9806-9816 (2001).
144. "Total Overlap Population Analysis for Cyclic Capacity of Metal-Substituted Spinel Lithium Manganate LiMn2O4 for Positive Electrode Material of Lithium Ion Rechargeable Battery"
     A. Hasegawa, K. Yoshizawa, and T. Yamabe, Journal of the Electrochemical Society, 148, A701-A705 (2001).
145. "First Observation of Solvated Clusters for Tropylium Ion"
     T. Kinoshita, A. Wakisaka, C. Yasumoto, K. Takeuchi, K. Yoshizawa, A. Suzuki, and T. Yamabe, Chemical Communications, 1768-1769 (2001).
146. "Theoretical Study on the Structure and Stability of Clusters of Tropylium Ion Solvated by Methanol Molecules"
     A. Suzuki, T. Kinoshita, K. Takeuchi, A. Wakisaka, and K. Yoshizawa, Journal of Molecular Structute (THEOCHEM), 574, 117-125 (2001).
147. "A Cluster Model Study of the Electron-Phonon Interaction in Magnesium Diborate"
     K. Yoshizawa and M. Kondo, Journal of Chemical Physics, 115, 7344-7347 (2001).
148. "Methane Inversion on Transition Metal Ions: A Possible Mechanism for Stereochemical Scrambling in Metal-Catalyzed Alkane Hydroxylations"
     K. Yoshizawa, Journal of Organometallic Chemistry (A special issue dedicated to the 50th anniversary of Prof. M. J. S. Dewar's landmark paper on metal-olefin bonding), 635, 100-109 (2001).
149. "Inverse Isotope Effects in the Superconductivity in Acenes: A Theoretical Study"
     T. Kato, K. Yoshizawa, and T. Yamabe, Chemical Physics Letters, 345, 125-131 (2001).
150. quot;Energetic Feasibility of the Hydrogen Abstraction and Recombination in Coenzyme B12-Dependent Diol Dehydratase Reaction"
     T. Toraya, M. Eda, T. Kamachi, and K. Yoshizawa, Journal of Biochemistry, 130, 865-872 (2001).
151. "Role of Molecular Distortions in the Spin-Orbit Coupling between the Singlet and Triplet States of the 4π Electron Systems C4H4, C5H5+, and C3H3-"
     Y. Shiota, M. Kondo, and K. Yoshizawa, Journal of Chemical Physics, 115, 9243-9254 (2001).

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2000

113. "Formation of an Iron-Oxo Species upon Decomposition of Dinitrogen Oxide on a Model of Fe-ZSM-5 Zeolite"
     K. Yoshizawa, T. Yumura, Y. Shiota, and T. Yamabe, Bulletin of the Chemical Society of Japan, 73, 29-36 (2000).
114. "Vibronic Coupling and Jahn-Teller Effects in Negatively Charged Corannulene"
     T. Yamabe, K. Yahara, T. Kato, and K. Yoshizawa, Journal of Physical Chemistry A, 104, 589-595 (2000).
115. "Two-Step Concerted Mechanism for the Hydrocarbon Hydroxylation by Cytochrome P450"
     K. Yoshizawa, T. Ohta, M. Eda, and T. Yamabe, Bulletin of the Chemical Society of Japan, 73, 401-407 (2000).
116. "Direct Methane-Methanol and Benzene-Phenol Conversions on Fe-ZSM-5 Zeolite: Theoretical Predictions on the Reaction Pathways and Energetics"
     K. Yoshizawa, Y. Shiota, T. Yumura, and T. Yamabe, Journal of Physical Chemistry B, 104, 734-740 (2000).
117. quot;Nanometer Size Effect on the Interlayer Spacing in Graphite Slabs"
     K. Yoshizawa, T. Yumura, and T. Yamabe, Proceedings of the Fourth Symposium on Atomic-Scale Surface and Interface Dynamics, 449-454 (2000).
118. "Two-Step Concerted Mechanism for Methane Hydroxylation on the Diiron Active Site of Soluble Methane Monooxygenase"
     K. Yoshizawa, Journal of Inorganic Biochemistry (ICBIC9 Invited Talk), 78, 23-34 (2000).
119. "Femtosecond Dynamics of the Methane-Methanol and Benzene-Phenol Conversions by an Iron-Oxo Species"
     K. Yoshizawa, Y. Shiota, Y. Kagawa, and T. Yamabe, Journal of Physical Chemistry A, 104, 2552-2561 (2000).
120. "Conversion of Methane to Methanol on Diiron and Dicopper Enzyme Models of Methane Monooxygenase: A Theoretical Study on a Concerted Reaction Pathway"
     K. Yoshizawa, A. Suzuki, Y. Shiota, and T. Yamabe, Bulletin of the Chemical Society of Japan, 73, 815-827 (2000).
121. "Synthesis, Structure, and Catalytic Function of a Disulfide-Bridged Dicopper(I) Complex"
     T. Ohta, T. Tachiyama, K. Yoshizawa, and T. Yamabe, Tetrahedron Letters, 41, 2581-2585 (2000).
122. "Role of Vibronic Interactions in the Electronic Properties of a Silicon Cluster, (SiH)8"
     T. Kato, K. Yoshizawa, and T. Yamabe, Journal of Chemical Physics, 113, 2188-2198 (2000).
123. "Cavity Ring-Down Sectroscopy and Relative Rate Study of Reactions of HCO Radicals with O2, NO, NO2, and Cl2 at 295 K"
     Y. Ninomiya, M. Goto, S. Hashimoto, Y. Kagawa, K. Yoshizawa, M. Kawasaki, T. J. Wallington, and M. D. Hurley, Journal of Physical Chemistry A, 104, 7556-7564 (2000).
124. "Synthesis, Structure, and H2O2-Dependent Catalytic Functions of Disulfide-Bridged Dicopper(I) and Related Thioether Copper(I) and Copper(II) Complexes"
     T. Ohta, T. Tachiyama, K. Yoshizawa, T. Yamabe, T. Uchida, and T. Kitagawa, Inorganic Chemistry, 19, 4358-4369 (2000).
125. "Vibronic Interactions in {6}- and {18}Hetero(A,B)annulenes"
     M. Tachibana and K. Yoshizawa, Chemical Physics, 260, 303-315 (2000).
126. "Reaction Pathways for the Oxidation of Methanol to Formaldehyde by an Iron-Oxo Species"
     K. Yoshizawa and Y. Kagawa, Journal of Physical Chemistry A, 104, 9347-9355 (2000).
127. "An Ab Initio Study on the Structure and Reactivity of 1,4-Disilabenzene"
     S.-Y. Kang, K. Yoshizawa, T. Yamabe, A. Naka, and M. Ishikawa, Journal of Organometallic Chemistry, 611, 280-287 (2000).
128. "Energetics for the Oxygen Rebound Mechanism of Alkane Hydroxylation by the Iron-Oxo Species of Cytochrome P450"
     K. Yoshizawa, Y. Shiota, and Y. Kagawa, Bulletin of the Chemical Society of Japan, 73, 2669-2673 (2000).
129. "The Role of Orbital Interactions in Determining the Interlayer Spacing in Graphite Slabs"
     K. Yoshizawa, T. Yumura, T. Yamabe, and S. Bandow, Journal of the American Chemical Society, 122, 11871-11875 (2000).
130. "Methane to Methanol Conversion by First-Row Transition-Metal Oxide Ions: ScO+, TiO+, VO+, CrO+, MnO+, FeO+, CoO+, NiO+, and CuO+"
     Y. Shiota and K. Yoshizawa, Journal of the American Chemical Society, 122, 12317-12326 (2000).
131. "Crystal Orbital Overlap Population Analysis of the Capacity Fading of Metal-Substituted Spinel Lithium Manganate LiMn2O4"
     A. Hasegawa, K. Yoshizawa, and T. Yamabe, Journal of the Electrochemical Society, 147, 4052-4057 (2000).
132. "The Electronic and Vibrational Structures of Iron-Oxo Porphyrin with a Methoxide or Cysteinate Axial Ligand"
     T. Ohta, K. Matsuura, K. Yoshizawa, and I. Morishima, Journal of Inorganic Biochemistry, 82, 141-152 (2000).
133. "Kinetic Isotope Effects in a C-H Bond Dissociation by the Iron-Oxo Species of Cytochrome P450"
     K. Yoshizawa, Y. Kagawa, and Y. Shiota, Journal of Physical Chemistry B, 104, 12365-12370 (2000).
134. "Theoretical Study of the Ground and Excited States of Silicon Clusters: Si8Hx"
     K. Nakajima, K. Yoshizawa, and T. Yamabe, Journal of Applied Physics, 88, 4340-4346 (2000).

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1999

95. "Jahn-Teller Effects in the Coronene Anions and Cations"
    T. Kato, K. Yoshizawa, and T. Yamabe, Journal of Chemical Physics, 110, 249-255 (1999).
96. "Ab Initio Study on Interaction and Stability of Lithium-Doped Amorphous Carbons"
    H. Ago, M. Kato, K. Yahara, K. Yoshizawa, K. Tanaka, and T. Yamabe, Journal of the Electrochemical Society, 146, 1262-1269 (1999).
97. "Jahn-Teller Effect and Possible Superconductivity in [18]Annulene"
    T. Kato, K. Yoshizawa, and T. Yamabe, Synthetic Metals, 101, 583-584 (1999).
98. "Reaction Pathway for the Direct Benzene Hydroxylation by Iron-Oxo Species"
    K. Yoshizawa, Y. Shiota, and T. Yamabe, Journal of the American Chemical Society, 121, 147-153 (1999).
99. "The B1u and B2u Vibrational Modes Causing a D6h to D3h Transition in Benzene and [18]- and [30]Annulenes"
    K. Yoshizawa, M. Tachibana, and T. Yamabe, Bulletin of the Chemical Society of Japan, 72, 697-700 (1999).
100. "Orbital Interactions and Solvent Effects Determining the Stability of Condensed Cyclopentadienides in Solution"
     K. Yoshizawa, K. Yahara, A. Taniguchi, T. Yamabe, T. Kinoshita, and K. Takeuchi, Journel of Organic Chemistry, 64, 2821-2829 (1999).
101. "Inversion of Methane on Transition Metal Complexes: A Possible Mechanism for Inversion of Stereochemistry"
     K. Yoshizawa, A. Suzuki, and T. Yamabe, Journal of the American Chemical Society, 121, 5266-5273 (1999).
102. "A Second-Order Effect Causing the Layer Structure of Arsenic"
     K. Yoshizawa, T. Yumura, and T. Yamabe, Journal of Chemical Physics, 110, 11534-11541 (1999).
103. "Intrinsic Reaction Coordinate Analysis of the Conversion of Methane to Methanol by an Iron-Oxo Species: A Study of Crossing Seams of Potential Energy Surfaces"
     K. Yoshizawa, Y. Shiota, and T. Yamabe, Journal of Chemical Physics, 111, 538-545 (1999).
104. "Palladium- and Platinum-Catalyzed Reactions of Benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) with Alkenes"
     A. Naka, K. K. Lee, K. Yoshizawa, T. Yamabe, and M. Ishikawa, Journal of Organometallic Chemistry, 587, 1-8 (1999).
105. "Vibronic Coupling and Jahn-Teller Effects in Negatively Charged [30]Annulene"
     T. Kato, K. Yoshizawa, and T. Yamabe, Chemical Physics, 247, 375-386 (1999).
106. "Lithium Ion Migration Pathways in LiTi2(PO4)3 and Related Materials"
     G. Nuspl, T. Takeuchi, A. Weiß, H. Kageyama, K. Yoshizawa, and T. Yamabe, Journal of Applied Physics, 86, 5484-5491 (1999).
107. "Vibronic Interactions in Nanosized Molecular Systems"
     K. Yoshizawa and T. Yamabe, Proceedings of the Third Symposium on Atomic-Scale Surface and Interface Dynamics, 87-92 (1999).
108. "Direct Participation of Potassium Ion in the Catalysis of Coenzyme B12-Dependent Diol Dehydratase"
     T. Toraya, K. Yoshizawa, M. Eda, and T. Yamabe, Journal of Biochemistry, 126, 650-654 (1999).
109. "Nickel-Catalyzed Reactions of Benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) with Alkynes and Ketones"
     A. Naka, K. K. Lee, K. Yoshizawa, T. Yamabe, and M. Ishikawa, Organometallics, 18, 4524-4529 (1999).
110. "Thermal Addition of Disilacyclobutenes and Acetylene: A Theoretical Study on the Diels-Alder Type Reactions"
     K. Yoshizawa, S.-Y. Kang, T. Yamabe, A. Naka, and M. Ishikawa, Organometallics, 18, 4637-4645 (1999).
111. "Vibronic Interactions in the C36 Tri- and Tetraanions"
     K. Yoshizawa, M. Tachibana, and T. Yamabe, Journal of Chemical Physics, 111, 10088-10092 (1999).
112. "Molecular Orbital Study on the Magnetic Properties of Pyrazine- and Pyrimidine-Bridged Copper(II) Complexes"
     F. Mohri, K. Yoshizawa, T. Yamabe, T. Ishida, and T. Nogami, Molecular Engineering, 8, 357-373 (1999).

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1998

80. "Ab Initio CASSCF Study on Doublet and Quartet States of 1,3,5-Tris(methylene)benzene and 1,3,5-Benzenetriamine Trication"
    A. Ito, A. Taniguchi, K. Yoshizawa, K. Tanaka, and T. Yamabe, Bulletin of the Chemical Society of Japan, 71, 337-343 (1998).
81. "Bandgap Oscillation in Polyphenanthrenes"
    K. Yoshizawa, K. Yahara, K. Tanaka, and T. Yamabe, Journal of Physical Chemistry B, 102, 498-508 (1998).
82. "Methane-Methanol Conversion by MnO+, FeO+, and CoO+: A Theoretical Study of Catalytic Selectivity"
    K. Yoshizawa, Y. Shiota, and T. Yamabe, Journal of the American Chemical Society, 120, 564-572 (1998).
83. "Vibronic Coupling and Jahn-Teller Effect in Negatively Charged Benzene and [18]Annulene"
    K. Yoshizawa, T. Kato, and T. Yamabe, Journal of Chemical Physics, 108, 7637-7644 (1998).
84. "Hydrocarbon Anions with High Stability. Part 2. Structure and Stability of Cyclopentadienide Ions with Condensed Aromatic Rings"
    T. Kinoshita, M. Fujita, H. Kaneko, K. Takeuchi, K. Yoshizawa, and T. Yamabe, Bulletin of the Chemical Society of Japan, 71, 1145-1149 (1998).
85. "Structure and Electronic Properties of Nano-Size Molecular Systems"
    T. Yamabe, G. Nuspl, H. Ago, T. Sato, and K. Yoshizawa, Proceedings of the Second Symposium on Atomic-Scale Surface and Interface Dynamics, 255-259 (1998).
86. "Abstraction of Hydrogen Atom of Methane by Iron-oxo Species: Concerted Reaction Path Is Energetically More Favorable"
    K. Yoshizawa, Y. Shiota, and T. Yamabe, Organometallics, 17, 2825-2831 (1998).
87. "Analysis of Photoinduced Magnetization in a (Co, Fe) Prussian Blue Model"
    K. Yoshizawa, F. Mohri, G. Nuspl, and T. Yamabe, Journal of Physical Chemistry B, 102, 5432-5437 (1998).
88. "Two-Step Concerted Mechanism for Alkane Hydroxylation on the Ferryl Active Site of Methane Monooxygenase"
    K. Yoshizawa, Journal of Biological Inorganic Chemistry (A special issue for the structure and mechanism of soluble methane monooxygenase), 3, 318-324 (1998).
89. "Methane Hydroxylation on a Diiron Model of Soluble Methane Monooxygenase"
    K. Yoshizawa, T. Ohta, and T. Yamabe, Bulletin of the Chemical Society of Japan, 71, 1899-1909 (1998).
90. "Second-Order Perturbational Effect on the Interlayer Interactions in Graphite and Graphite Intercalation Compounds"
    K. Yoshizawa, T. Kato, and T. Yamabe, Bulletin of the Chemical Society of Japan, 71, 2087-2095 (1998).
91. "Lithium Diffusion in LixCoO2 Electrode Materials"
    G. Nuspl, M. Nagaoka, K. Yoshizawa, F. Mohri, and T. Yamabe, Bulletin of the Chemical Society of Japan, 71, 2259-2265 (1998).
92. "Electron-Phonon Coupling in the One-Dimensional Crystals of Negatively Charged [18]Annulene"
    K. Yoshizawa, T. Kato, and T. Yamabe, Journal of Chemical Physics, 109, 8514-8520 (1998).
93. "Vibronic Interactions in Silicon Polyhedra of the Si46 Clathrate Compound"
    K. Yoshizawa, T. Kato, M. Tachibana, and T. Yamabe, Journal of Physical Chemistry A, 102, 10113-10119 (1998).
94. "Synthesis and Platinum- and Palladium-Catalyzed Reactions of Benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene)"
    A. Naka, K. Yoshizawa, S.-Y. Kang, T. Yamabe, and M. Ishikawa, Organometallics, 17, 5830-5835 (1998).

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1997

59. "Ferromagnetic Interaction between Aminium Radical Centers through m-Phenylene and m-1,3,5-Triazinediyl"
    A. Ito, H. Miyajima, K. Yoshizawa, K. Tanaka, and T. Yamabe, Journal of Organic Chemistry, 62, 38-43 (1997).
60. "Novel Aspects of the [1,3] Sigmatropic Silyl Shift in Allylsilane"
    T. Yamabe, K. Nakamura, Y. Shiota, K. Yoshizawa, S. Kawauchi, and M. Ishikawa, Journal of the American Chemical Society, 119, 807-815 (1997).
61. "High-Spin State Instability in Nitroxide Triradical Coupled through m-Phenylene"
    K. Yoshizawa, T. Kuga, M. Hatanaka, K. Tanaka, and T. Yamabe, Synthetic Metals, 86, 1765-1766 (1997).
62. "Possible D6h Structures in Neutral and Negatively-Charged Cyclic Polyenes"
    K. Yoshizawa, T. Kato, and T. Yamabe, Synthetic Metals, 86, 2397-2398 (1997).
63. "Ab Initio MO Study of m-Phenylenediamine and Diamino-1,3,5-triazine Dication Diradicals"
    A. Ito, H. Miyajima, K. Yoshizawa, K. Tanaka, and T. Yamabe, Synthetic Metals, 86, 1777-1778 (1997).
64. "Structure and Properties of Deeply Li-Doped Polyacenic Semiconductor (PAS)"
    T. Yamabe, K. Tanaka, H. Ago, K. Yoshizawa, and S. Yata, Synthetic Metals, 86, 2411-2414 (1997).
65. "Possible Intermediates for the Conversion of Methane to Methanol on Dinuclear Iron Centers of Methane Monooxygenase Models"
    K. Yoshizawa, T. Yamabe, and R. Hoffmann, New Journal of Chemistry, 21, 151-161 (1997).
66. "Orbital Interaction Analysis of McConnell's Model for Through-Space Magnetic Coupling"
    K. Yoshizawa, T. Yamabe, and R. Hoffmann, Molecular Crystals and Liquid Crystals, 305, 157-166 (1997).
67. "Orbital Interaction and Vibrational Mode Analyses for Phase Transitions of BaTiO3"
    T. Takeuchi, K. Yoshizawa, Y. Shiota, O. Nakamura, H. Kageyama, and T. Yamabe, Journal of Materials Chemistry, 7, 969-975 (1997).
68. "Reaction Paths for the Conversion of Methane to Methanol Catalyzed by FeO+"
    K. Yoshizawa, Y. Shiota, and T. Yamabe, Chemistry-A European Journal, 3, 1160-1169 (1997).
69. "Spin Crossover in a One-Dimensional Iron Chain"
    K. Yoshizawa, H. Miyajima, and T. Yamabe, Journal of Physical Chemistry B, 101, 4383-4389 (1997).
70. "Density Functional Study on a Peroxo Intermediate of Methane Monooxygenase"
    K. Yoshizawa, Y. Yokomichi, Y. Shiota, T. Ohta, and T. Yamabe, Chemistry Letters, 1997, 587-588.
71. "Electronic Structure of TDAE-C60 Complex"
    S. Hino, K. Umishita, K. Iwasaki, K. Tanaka, T. Sato, T. Yamabe, K. Yoshizawa, and K. Okahara, Journal of Physical Chemistry A, 101, 4346-4350 (1997).
72. "Theoretical Study of Lithium-Doped Polycyclic Aromatic Hydrocarbons"
    H. Ago, K. Nagata, K. Yoshizawa, K. Tanaka, and T. Yamabe, Bulletin of the Chemical Society of Japan, 70, 1717-1726 (1997).
73. "A Theoretical Study of Dioxygen Activation on the Dicopper Enzyme Model"
    K. Yoshizawa, T. Ohta, and T. Yamabe, Bulletin of the Chemical Society of Japan, 70, 1911-1917 (1997).
74. "A Theoretical Study of Dioxygen Cleavage on Diiron Enzyme Models"
    K. Yoshizawa, T. Ohta, T. Yamabe, and R. Hoffmann, Journal of Inorganic Biochemistry, 67, 323 (1997).
75. "Possible Nitrogen Fixation by Disilabutadiene"
    K. Yoshizawa, Y. Shiota, S.-Y. Kang, and T. Yamabe, Organometallics, 16, 5058-5063 (1997).
76. "Lithium Intercalation in TiO2 Modifications"
    G. Nuspl, K. Yoshizawa, and T. Yamabe, Journal of Materials Chemistry, 7, 2529-2536 (1997).
77. "Cleavage of C-H Bond of Methane on Intermediate Q of Methane Monooxygenase"
    K. Yoshizawa, T. Ohta, Y. Shiota, and T. Yamabe, Chemistry Letters, 1997, 1213-1214.
78. "Dioxygen Cleavage and Methane Activation on Diiron Enzyme Models: A Theoretical Study"
    K. Yoshizawa, T. Ohta, T. Yamabe, and R. Hoffmann, Journal of the American Chemical Society, 119, 12311-12321 (1997).
79. "Structure and Properties of Deeply Li-Doped Polyacenic Semiconductor (PAS) Materials"
    T. Yamabe, K. Tanaka, H. Ago, and K. Yoshizawa, Proceedings of the First Symposium on Atomic-Scale Surface and Interface Dynamics, 81-87 (1997).

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1996

53. "Magnetic Properties of 1,3,5-Tris[bis(p-methoxyphenyl)amino]benzene Cation Radicals"
    K. Yoshizawa, M. Hatanaka, H. Ago, K. Tanaka, and T. Yamabe, Bulletin of the Chemical Society of Japan, 69, 1417-1422 (1996).
54. "Electronic Properties of Polymers Based on Thienothiadiazole and Thiophene"
    A. K. Bakhshi, H. Ago, K. Yoshizawa, K. Tanaka, and T. Yamabe, Journal of Chemical Physics, 104, 5528-5538 (1996).
55. "Dioxygen Binding to Dinuclear Iron Centers on Methane Monooxygenase Models"
    K. Yoshizawa and R. Hoffmann, Inorganic Chemistry, 35, 2409-2410 (1996).
56. "Electron Correlation Effects and Possible D6h Structures in Large Cyclic Polyenes"
    K. Yoshizawa, T. Kato, and T. Yamabe, Journal of Physical Chemistry, 100, 5697-5701 (1996).
57. "Interlayer Interactions in Two-Dimensional Periodic Systems: Second-Order Effects Causing ABAB Stacking of Layers in Graphite"
    K. Yoshizawa, T. Kato, and T. Yamabe, Journal of Chemical Physics, 105, 2099-2105 (1996).
58. "Through-Bond and Through-Space Interactions of Organic Radicals Coupled by m-Phenylene"
    K. Yoshizawa, T. Kuga, T. Sato, M. Hatanaka, K. Tanaka, and T. Yamabe, Bulletin of the Chemical Society of Japan, 69, 3443-3450 (1996).

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1995

43. "Weak Suppression of Ferromagnetism in TDAE-(C60)1-x(C70)x"
    K. Tanaka, T. Sato, T. Yamabe, K. Yoshizawa, K. Okahara, and A.A. Zakhidov, Physical Review B, 51, 990-995 (1995).
44. "An ESR Analysis of C60S16"
    K. Tanaka, H. Ago, T. Yamabe, K. Yoshizawa, J. Li, and K. Kitazawa, Chemical Physics Letters, 235, 217-220 (1995).
45. "Molecular Orbital Study on Cationic States of Triphenylene and 1,3,5-Tris(diphenylamino)benzene as a Design of Charge-Transfer Organic Ferromagnet"
    K. Yoshizawa, M. Hatanaka, K. Tanaka, and T. Yamabe, Synthetic Metals, 71, 1829-1830 (1995).
46. "Study on Magnetic Properties of Triaminobenzenes toward Charge-Transfer Organic Ferromagnets"
    K. Yoshizawa, M. Hatanaka, K. Tanaka, and T. Yamabe, Synthetic Metals, 71, 1831-1832 (1995).
47. "Ac Magnetic Susceptibility of TDAE-C60"
    K. Tanaka, T. Sato, K. Yoshizawa, K. Okahara, T. Yamabe, and M. Tokumoto, Chemical Physics Letters, 237, 123-126 (1995).
48. "Jahn-Teller Distortion and Possible Electron Pairing in Molecular Systems"
    T. Yamabe, K. Yoshizawa, Y. Matsuura, and K. Tanaka, Synthetic Metals, 75, 55-60 (1995).
49. "n-Alkyl Group-Substituted Poly(m-aniline)s: Syntheses and Magnetic Properties"
    A. Ito, K. Ota, K. Tanaka, T. Yamabe, and K. Yoshizawa, Macromolecules, 28, 5618-5625 (1995).
50. "The Role of Orbital Interactions in Determining Ferromagnetic Coupling in Organic Molecular Assemblies"
    K. Yoshizawa and R. Hoffmann, Journal of the American Chemical Society, 117, 6921-6927 (1995).
51. "Possible Linear Chain Organic Ferromagnets"
    K. Yoshizawa and R. Hoffmann, Chemistry-A European Journal, 1, 403-413 (1995).
52. "Interchain Interactions in One-Dimensional Periodic Systems: An Analysis of Second-Order Effects Causing Deformation"
    K. Yoshizawa and R. Hoffmann, Journal of Chemical Physics, 103, 2126-2131 (1995).

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1994

37. "Ferromagnetic Coupling through m-Phenylene. Molecular and Crystal Orbital Study"
    K. Yoshizawa, K. Tanaka, and T. Yamabe, Journal of Physical Chemistry, 98, 1851-1855 (1994).
38. "Ab Initio MO Study of Diphenylamine Derivatives; Diphenylamine, Diphenylaminium, Diphenylaminyl, and Diphenylnitroxide"
    A. Ito, K. Ota, K. Yoshizawa, K. Tanaka, and T. Yamabe, Chemical Physics Letters, 223, 27-34 (1994).
39. "Electrochemical Oxidation of 1,3,5-Tris(diphenylamino)benzene (TDAB) for Polyradical Material"
    K. Yoshizawa, A. Ito, K. Tanaka, and T. Yamabe, Synthetic Metals, 66, 81-83 (1994).
40. "Magnetic Heat Capacity of TDAE-C60"
    K. Tanaka, T. Tanaka, T. Atake, K. Yoshizawa, K. Okahara, T. Sato, and T. Yamabe, Chemical Physics Letters, 230, 271-275 (1994).
41. "Ab Initio Study on Quartet State of Non-Kekulé Type Molecules 1,3,5-Trimethylenebenzene and 1,3,5-Triaminobenzene Trication"
    K. Yoshizawa, M. Hatanaka, Y. Matsuzaki, K. Tanaka, and T. Yamabe, Journal of Chemical Physics, 100, 4453-4458 (1994).
42. "Molecular Orbital Study of Pyrolitic Carbons Based on the Small Cluster Model"
    K. Yoshizawa, K. Okahara, T. Sato, K. Tanaka, and T. Yamabe, Carbon, 32, 1517-1522 (1994).

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1993

27. "Magnetic Properties of Higher Fullerides TDAE-C84, C90 and C96"
    K. Tanaka, A. A. Zakhidov, K. Yoshizawa, K. Okahara, T. Yamabe, K. Kikuchi, S. Suzuki, I. Ikemoto, and Y. Achiba, Solid State Communications, 85, 69-72 (1993).
28. "Unrestricted Hartree-Fock Method for Infinite Systems with Antiferromagnetic Array: Antiferromagnetic State of trans-Polyacetylene"
    K. Yoshizawa, A. Ito, K. Tanaka, and T. Yamabe, International Journal of Quantum Chemistry, 45, 391-400 (1993).
29. "Magnetic Properties of TDAE-C60 and TDAE-C70, where TDAE is Tetrakis(dimethylamino)ethylene"
    K. Tanaka, A.A. Zakhidov, K. Yoshizawa, K. Okahara, T. Yamabe, K. Yakushi, K. Kikuchi, S. Suzuki, I. Ikemoto, and Y. Achiba, Physical Review B, 47, 7554-7559 (1993).
30. "Quartet State of Non-Kekulé Molecules 1,3,5-Trimethylenebenzene and 1,3,5-Triaminobenzene Trication"
    K. Yoshizawa, M. Hatanaka, A. Ito, K. Tanaka, and T. Yamabe, Chemical Physics Letters, 202, 483-488 (1993).
31. "Raman Scattering in Ferromagnetic TDAE-C60 Compared to TDAE-C70"
    V.N. Denisov, A.A. Zakhidov, G. Ruani, R. Zamboni, C. Taliani, K. Tanaka, K. Yoshizawa, K. Okahara, T. Yamabe, and Y. Achiba, Synthetic Metals, 55-57, 3050-3056 (1993).
32. "Molecular Orbital Study on Quartet Molecules with Trigonal Axis of Symmetry"
    K. Yoshizawa, M. Hatanaka, A. Ito, K. Tanaka, and T. Yamabe, Molecular Crystals and Liquid Crystals, 232, 323-332 (1993).
33. "Magnetic Property of Soluble Poly(m-aniline)"
    K. Yoshizawa, A. Ito, K. Tanaka, and T. Yamabe, Solid State Communications, 87, 935-937 (1993).
34. "ESR Study of TDAE-C60 and TDAE-C70 in Solution"
    K. Yoshizawa, T. Sato, K. Tanaka, T. Yamabe, and K. Okahara, Chemical Physics Letters, 213, 498-502 (1993).
35. "Suppression of Magnetism of TDAE-(C60)1-x(C70)x Molecular Alloys"
    K. Tanaka, K. Yoshizawa, T. Sato, T. Yamabe, K. Okahara, and A.A. Zakhidov, Solid State Communications, 87, 1055-1059 (1993).
36. "Design of One-Dimensional Ferromagnet Based on Polyacetylene Chain"
    K. Yoshizawa, K. Tanaka, and T. Yamabe, Synthetic Metals, 60, 279-283 (1993).

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1992

18. "Crystal Orbital Study of Ferromagnetic State of Poly(m-aniline)"
    K. Yoshizawa, A. Takata, K. Tanaka, and T. Yamabe, Polymer Journal, 24, 857-864 (1992).
19. "Electrical Conductivity Measurements of the Plasma-Polymerized 1-Benzothiophene Thin Film"
    S. Nishio, T. Takeuchi, Y. Matsuura, K. Yoshizawa, K. Tanaka, and T. Yamabe, Synthetic Metals, 46, 243-250 (1992).
20. "Ferromagnetic Interaction in Poly(m-aniline): Electron Spin Resonance and Magnetic Susceptibility"
    K. Yoshizawa, K. Tanaka, T. Yamabe, and J. Yamauchi, Journal of Chemical Physics, 96, 5516-5522 (1992).
21. "Electron Spin Resonance of the Quartet State of 1,3,5-Tris(diphenylamino)benzene"
    K. Yoshizawa, A. Chano, A. Ito, K. Tanaka, T. Yamabe, H. Fujita, and J. Yamauchi, Chemistry Letters, 1992, 369-372.
22. "ESR of Cationic Triradical of 1,3,5-Tris(diphenylamino)benzene"
    K. Yoshizawa, A. Chano, A. Ito, K. Tanaka, T. Yamabe, H. Fujita, J. Yamauchi, and M. Shiro, Journal of the American Chemical Society, 114, 5994-5998 (1992).
23. "Synthesis of Polyaniline by Use of the Ullmann Reaction"
    K. Yoshizawa, A. Ito, K. Tanaka, T. Yamabe, and J. Yamauchi, Synthetic Metals, 48, 271-282 (1992).
24. "Magnetic Properties of TDAE-C60 and TDAE-C70. A Comparative Study"
    K. Tanaka, A. A. Zakhidov, K. Yoshizawa, K. Okahara, T. Yamabe, K. Yakushi, K. Kikuchi, S. Suzuki, I. Ikemoto, and Y. Achiba, Physics Letters A, 164, 221-226 (1992).
25. "Crystal Orbital Study on Poly(phenylnitrene)s as Potential Organic Ferromagnets"
    K. Yoshizawa, A. Chano, A. Ito, K. Tanaka, and T. Yamabe, Synthetic Metals, 52, 377-382 (1992).
26. "Ferromagnetic TDAE-C60 versus Paramagnetic TDAE-C70: Faraday Balance and ESR Study"
    K. Tanaka, A.A. Zakhidov, K. Yoshizawa, K. Okahara, T. Yamabe, K. Yakushi, K. Kikuchi, S. Suzuki, I. Ikemoto, and Y. Achiba, International Journal of Modern Physics, 6, 3953-3958 (1992).

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1991

12. "Midgap Levels of Photoexcited Conductive Polymers. I. A Simple Description of the Midgap Levels Based on Molecular Orbital Interaction"
    K. Tanaka, K. Yoshizawa, and T. Yamabe, International Journal of Quantum Chemistry, 40, 305-314 (1991).
13. "Midgap Levels of Photoexcited Conductive Polymers. II. Detailed Analysis of trans-Polyacetylene"
    K. Tanaka, K. Yoshizawa, T. Takeuchi, and T. Yamabe, International Journal of Quantum Chemistry, 40, 315-322 (1991).
14. "Theoretical Study on Ferromagnetic Interaction in Stacked Diphenylcarbene Polymer"
    K. Tanaka, T. Takeuchi, K. Yoshizawa, M. Toriumi, and T. Yamabe, Synthetic Metals, 44, 1-8 (1991).
15. "Magnetic Properties of Simple Alkylene-Aromatic Polymers"
    K. Tanaka, K. Yoshizawa, A. Takata, T. Yamabe, and J. Yamauchi, Journal of Chemical Physics, 94, 6868-6872 (1991).
16. "Synthesis and ESR Measurements of Polymeric Product of m-Chloroaniline as an Approach to Magnetic Polymers"
    K. Tanaka, K. Yoshizawa, A. Takata, T. Yamabe, and J. Yamauchi, Synthetic Metals, 41-43, 3297-3300 (1991).
17. "Plasma Polymerization of 1-Benzothiophene"
    K. Tanaka, T. Yamabe, T. Takeuchi, K. Yoshizawa, and S. Nishio, Journal of Applied Physics, 70, 5653-5660 (1991).

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1990

8. "Interaction of Two Solitons on Two trans-Polyacetylene Chains"
   K. Yoshizawa, K. Tanaka, and T. Yamabe, Synthetic Metals, 36, 75-81 (1990).
9. "Magnetic Property Measurement of Simple Alkylene-Aromatic Polymers"
   K. Tanaka, K. Yoshizawa, A. Takata, T. Yamabe, and J. Yamauchi, Synthetic Metals, 39, 103-108 (1990).
10. "Synthesis of Poly(m-aniline) by Dehydrohalogenation of m-Chloroaniline"
    K. Yoshizawa, K. Tanaka, and T. Yamabe, Chemistry Letters, 1990, 1311-1314.
11. "Plasma Polymerization of Thiophene and 3-Methylthiophene"
    K. Tanaka, K. Yoshizawa, T. Takeuchi, T. Yamabe, and J. Yamauchi, Synthetic Metals, 38, 107-116 (1990).

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1989

7. "A Stability Condition for the Hartree-Fock Solution of the Infinite One-Dimensional System"
   K. Tanaka, H. Kobayashi, S. Yamanaka, K. Yoshizawa, and T. Yamabe, Journal of Chemical Physics, 91, 3724-3728 (1989).

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1987

6. "Improvement of Spot Weldability in Vibration Damping Steel Sheet"
   K. Yoshizawa, Y. Watanabe, N. Gunji, H. Naemura, and M. Kabasawa, Transaction of Iron and Steel Institute of Japan, 27, B-30 (1987).

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1984

3. "Structural Change in the Photoexcited cis-Polyacetylene"
   K. Tanaka, T. Koike, K. Yoshizawa, K. Ohzeki, and T. Yamabe, Solid State Communications, 49, 165-167 (1984).
4. "ESR Studies of Electrochemically Prepared Poly(3-methylthienylene) Films"
   K. Tanaka, T. Shichiri, K. Yoshizawa, T. Yamabe, S. Hotta, W. Shimotsuma, J. Yamauchi, and Y. Deguchi, Solid State Communications, 51, 565-567 (1984).
5. "ESR Studies of Polyacenic Semiconductive Material"
   K. Tanaka, K. Yoshizawa, T. Koike, T. Yamabe, J. Yamauchi, Y. Deguchi, and S. Yata, Solid State Communications, 52, 343-345 (1984).

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1983

1. "Cis-trans Isomerization of Iodine-Doped Polyacetylene"
   K. Tanaka, K. Yoshizawa, K. Ohzeki, and T. Yamabe, Solid State Communications, 45, 391-393 (1983).
2. "Photoisomerization of cis-Polyacetylene"
   K. Tanaka, T. Koike, K. Ohzeki, K. Yoshizawa, and T. Yamabe, Solid State Communications, 47, 127-129 (1983).

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