コンテンツへスキップ
投稿論文
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- T. Abe, Y. Hori, Y. Shiota, T. Ohta, Y. Morimoto, H. Sugimoto, T. Ogura, K. Yoshizawa, S. Itoh, “Unprecedented Reactivity of Cupric-superoxide Complex Inducing Aldol Reaction Type C–C Bond Formation”, Commun. Chem., in press.
- Hashimoto, T. Koide, T. Okawara, H. Shimakoshi, Y. Hori, Y. Shiota, K. Yoshizawa, Y. Hisaeda, “Redox Behaviour of β-Dihydroporphycene Cobalt Complex: Study on the Effect of the Hydrogenation of Ligand”, Dalton Trans., 48, 872-881 (2019).
- H. Sugisawa, Y. Hori, T. Ida, M. Mizuno,
“A novel approach to Bohmian mechanics using an uncompressed particle method”,
Physica E, 104, 320-326, (2018).
DOI: 10.1016/j.physe.2018.08.007
- Y. K. Maurya, K. Noda, K. Yamasumi, S. Mori, T. Uchiyama, K. Kamitani, T. Hirai, K. Ninomiya, M. Nishibori, Y. Hori, Y. Shiota, K. Yoshizawa, M. Ishida, H. Furuta,
“Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity”,
J. Am. Chem. Soc., 140, 6883–6892 (2018).
DOI: 10.1021/jacs.8b01876
- Y. Hori, T. Ida, M. Mizuno,
“Construction of Potential Energy Surface based on Diabatic Model for Proton Transfer in Molecular Pairs”,
Prog. Theor. Chem. Phys., 31, 179–192 (2018).
DOI: 10.1007/978-3-319-74582-4_9
- Y. Hori, T. Chikai, T. Ida, M. Mizuno,
“Local Structure and Hydrogen Bond Characteristics of Imidazole Molecules for Proton Conduction in Acid and Base Proton-Conducting Composite Materials”,
Phys. Chem. Chem. Phys., 20, 10311-10318 (2018).
DOI: 10.1039/C7CP08396C
- Y. Hori, Y. Shiota, T. Tsuji, M. Kodera, K. Yoshizawa,
“Catalytic Performance of a Dicopper-Oxo Complex for Methane Hydroxylation”,
Inorg. Chem., 57, 8-11 (2018).
DOI: 10.1021/acs.inorgchem.7b02563
“ACS Editors’ Choice”
- Y. Hori, T. Ida, M. Mizuno,
“Potential energy construction in the diabatic picture for quantum mechanical rate constants of intermolecular proton transfer”,
Phys. Chem. Chem. Phys. 19, 16857-16866 (2017).
DOI: 10.1039/C7CP03024J
- F. H. Lim, M. Nishida, Y. Hori, T. Ida, M. Mizuno,
“Optimization of the spin-component-scaled factor for electron propagator method”,
Chem. Phys. Lett., 678, 159-166 (2017).
DOI: 10.1016/j.cplett.2017.04.044
- M. Nishida, F. H. Lim, Y. Hori, T. Ida, M. Mizuno,
“Complete spin contamination-free MP2 method”,
Chem. Phys. Lett., 669, 224-229 (2017).
DOI: 10.1016/j.cplett.2016.12.039
- Y. Hori, M. Nishida, F. H. Lim, T. Ida, and M. Mizuno,
“Simulation of molecular Auger spectra using a two-electron Dyson propagator ”,
J. Electron Spectrosc. Relat. Phenom., 207, 60-64 (2016).
DOI: 10.1016/j.elspec.2016.01.002
- Y. Hori, T. Ida, and M. Mizuno,
“A comparative theoretical study of the hydride transfer mechanisms during LiAlH4 and LiBH4 reductions”,
Comp. Theor. Chem., 1076, 86-93 (2016).
DOI: 10.1016/j.comptc.2015.12.014
競争的資金
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- 平成29-30年度 研究活動スタート支援
(代表)堀優太
「プロトン共役電子移動反応における理論的解析手法の開発」
- 平成30年度 統合物質創製化学研究推進機構、「融合創発研究」
(代表)堀優太、(共同研究)中西匠(九州大学)、水野元博(金沢大学)
「理論的解析を軸とした新規プロトン移動型スピン制御材料の開発」