Kyushu University Academic Staff Educational and Research Activities Database
List of Papers
Koichi Mogi Last modified date:2022.05.12

Assistant Professor / Theoretical Material Science / Department of Advanced Materials Science and Engineering / Faculty of Engineering Sciences

1. 茂木孝一,酒井嘉子,徐強,相馬芳江, Geometries and Electronic Structures of Group 10 and 11 Metal Carbonyl Cations, [M(CO)n]x+ (Mx+ = Ni2+, Pd2+, Pt2+, Cu+, Ag+, Au+; n = 1-4), Journal of Physical Chemistry.A, 10.1021/jp0220534, 107, 19, 3812-3821, 107巻,3812-3821頁, 2003年, 2003.03.
2. 酒井嘉子,中井朝和,茂木孝一, Theoretical study of low-lying electronic states of GdO, Molecular. Physics, 10.1080/00268970210158759, 101, 1-2, 117-123, 101巻,No1-2,117-123頁, 2002.10.
3. 酒井嘉子,小柳三佳,茂木孝一, Theoretical study of adsorption of SO2 on Ni(111) and Cu(111) surfaces, Surface Science, 10.1016/S0039-6028(02)01700-4, 513, 2, 272-282, 513巻, 272-282頁, 2002年, 2002.01.
4. M. Torrent,茂木孝一,H. Bach,D.G. Musaev, K. Morokuma, A Density Functional Study of Possible Intermediates of the Reaction of Dioxygen Molecule with Non-Heme Iron Complexes 1:1. N-Side versus O-Side Mechanism with Water-Free Model, The Journal of Physical Chemistry B, 105巻, 8616〜8628頁, 2001年, 2001.01.
5. Theoretical Studies on the Mechanism of the Methane to Methanol Conversion Reaction Catalyzed by Methane Monooxygenase: O-Side vs N-Side Mechanisms.
6. M. Tsuji,T. Arikawa,Y. Tanaka,茂木孝一, Initial Product-Ion Distributions in Ion Molecule Reactions of CH5+, C2H5+, and C3H5+ with Anilines, J. Mass Spectrum, Soc. Jpn, 49巻, 188−194頁, 2001年, 2001.01.
7. N. Yamamoto,K. Ohashi,K. Hino,茂木孝一,H. Sekiya, Density functional studies on aniline dimer cations, Chemical Physics Letters, 10.1016/S0009-2614(01)00925-3, 345, 5-6, 532-538, 345巻, 532-538頁, 2001年, 2001.01.
8. N. Yamamoto, K. Hino,茂木孝一,K. Ohashi, H. Sekiya, Hole-burning spectroscopy and ab initio calculations for the aniline dimmer, Chemical Physics Letters, 10.1016/S0009-2614(01)00599-1, 342, 3-4, 417-424, 342巻, 417-424頁, 2001年, 2001.01.
9. 茂木孝一, Geometry and Electronic Structure of binuclear metal carbonyl cations, [M2(CO)2]2+ and [M2(CO)6]2+ (M=Ni, Pd, Pt), Journal of Molecular Structure(TheoChem), 10.1016/S0166-1280(00)00669-2, 537, 125-138, 537巻, 125〜138頁, 2001年, 2001.01.
10. 徐強,茂木孝一,酒井嘉子,相馬芳江, Hexacarbonyldiplatinum(I). Synthesis, Spectroscopy, and Density Functional Calculation of the First Homoleptic, Dinuclear Platinum(I) Carbonyl Cation, [{Pt(CO)}2]2+, Formed in concentrated Sulfuric Acid, Journal of American Chemical Society, 122巻,6862〜6870頁, 2000年, 2000.01.
11. M. Mattori,茂木孝一,酒井嘉子,T. Isobe, Studies on the Trapping and Detrapping Transition States of Atomic Hydrogen in Octasilsesquioxane Using the Density Functional Theory, B3LYP Method, The Journal of Physical Chemistry A, 10.1021/jp0015269, 104, 46, 10868-10872, 104(46)巻, 10868〜10872頁, 2000年, 2000.01.
12. K. Kondo, M. Sano,茂木孝一, Conductivity and Solvation of Li+ Ions of LiPF6 in Propylene Carbonate Solutions:, Journal of Physical Chemistry A, 10.1021/jp000142f, 104, 20, 5040-5044, 104(20)巻, 5040〜5044頁, 2000年, 2000.01.
13. H. Basch,茂木孝一,D. G. Musaev,K. Morokuma, Theoretical study for reaction mechanisms of Methane Monooxygenaze (MMO) using (6,6)-coordinate Diiron complex model, Journal of American Chemical Society, 121(31)巻、 7249〜7256頁、1999年, 1999.01.
14. 酒井嘉子,茂木孝一,三好栄作, Theoretical study of low-lying electronic states of TiCl and ZrCl, Journal of Chemical Physics誌,, 10.1063/1.479701, 111, 9, 3989-3994, 111(9)巻, 3989〜3994頁, 1999年, 1999.01.
15. M. Tanaka,S. Matsumoto,S. Kashino,K. Mogi, Thermochromism of the Crystalline Charge Transfer Complex of N-Salicylidene-2- Aminopyradine with 1,3,5-Trinitrobenzene, Bulletin of the Chemical Society of Japan, 71巻, 2561〜2571頁, 1998年, 1998.01.
16. K. Mogi,S. Vyboishchikov,D.G. Musaev,K. Morokuma, Ethylene Polymerization by Zirconocene Catalysis, Transition state Modeling for Catalysis, 98巻, 112頁, 1998年, 1998.01.
17. ESR measurements of C60- anion crystals.
18. S. Kondo,K. Tokuhashi,H. Nagai,茂木孝一, Ab initio Energetic Calculations of Elementary Reactions Relevant to Low- Temperature Silane Oxidation by Gaussian-2 Theory, Journal of Physical Chemistry.A, 101(34)巻, 6015〜6022頁, 1997年, 1997.01.
19. M. Tanaka, H. Hayashi,S. Matsumoto,茂木孝一, Thermochromism of the Crystals of 2,3-Diphenylthio-1,4 Naphtoquinone, Bulletin of the Chemical Society of Japan, 70(2)巻, 329〜337頁, 1997年, 1997.01.
20. H. Hayashi, Thermochromism of the crystals of 2,3-di(p-chlorophenylthio)-1,4-naphthoquinone, MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION, 285巻, 627〜632頁, 1996年, 1997.01.
21. 茂木孝一,M. Tanaka,H. Hayashi, Teoretical Analysis of the IR and Visible Absorption SpectralChange by the Phase Transition of the Crystals of 2,3-Diphenylthio- and 2,3-Di(p-chloro- thiophenyl)-1,4-Naphthoquinones, Molecular cystals and Liquid Crystals SCIENCE AND TECHNOLOGY SECTION, 285巻, 639〜644頁, 1996, 1996.01.
22. H. Murata,茂木孝一, Novel Regio- and Stereoselective Synthesis of 6-Substituted Pteridines and Naturally Occurring L-erythro Bioterin, Synthesis, 3巻, 303頁, 1992年, 1992.01.
23. M. Sugiura, Regiospecific Nitration of Quinoline and Isoquinoline through the Reissert Compounds, Chem. Parm. Bull., 40巻, 2262〜2266頁, 1992年, 1992.01.
24. K. Hirao,茂木孝一, Floating Functions Satisfying the Hellman-Feynman Theorem: Single Floating Scheme, Journal of Computational Chemistry, 13巻, 457〜467頁, 1992年, 1992.01.
25. 茂木孝一,T. Komine,K. Hirao, A Theoretical study of the dipole moment of N2O and the weakly bound complexes formed by N2O, Journal of Chemical Physics, 95(12)巻, 8999〜9008頁, 1991年, 1992.12.