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書誌情報	ファイル
CASPT2 study of inverse sandwich-type dinuclear 3d transition metal complexes of ethylene and dinitrogen molecules: similarities and differences in geometry, electronic structure, and spin multiplicity. Nakagaki, Masayuki; Sakaki, Shigeyoshi (2015-05-19) Physical chemistry chemical physics, 17(25): 16294-16305
Interest in new heterodinuclear transition-metal/main-group-metal complexes: DFT study of electronic structure and mechanism of fluoride sensing function. Guan, Wei; Yamabe, Shinichi; Sakaki, Shigeyoshi (2013-06-28) Dalton transactions, 42(24): 8717-8728
Catalytic transfer hydrogenation by a trivalent phosphorus compound: phosphorus-ligand cooperation pathway or P(III) /P(V) redox pathway? Zeng, Guixiang; Maeda, Satoshi; Taketsugu, Tetsuya; Sakaki, Shigeyoshi (2014-04-25) Angewandte Chemie, 53(18): 4633-4637
Binding energy of gas molecule with two pyrazine molecules as organic linker in metal–organic framework: its theoretical evaluation and understanding of determining factors Deshmukh, Milind M.; Sakaki, Shigeyoshi (2011-10) Theoretical Chemistry Accounts, 130(2-3): 475-482
Theoretical study on high-spin to low-spin transition of {Fe(pyrazine)[Pt(CN)4]}: Guest-induced entropy decrease Ando, Hideo; Nakao, Yoshihide; Sato, Hirofumi; Ohba, Masaaki; Kitagawa, Susumu; Sakaki, Shigeyoshi (2011-08) Chemical Physics Letters, 511(4-6): 399-404
Presence or absence of a novel charge-transfer complex in the base-catalyzed hydrolysis of N-ethylbenzamide or ethyl benzoate. Yamabe, Shinichi; Guan, Wei; Sakaki, Shigeyoshi (2013-01) Beilstein journal of organic chemistry, 9: 185-196
An aniline dication-like transition state in the Bamberger rearrangement. Yamabe, Shinichi; Zeng, Guixiang; Guan, Wei; Sakaki, Shigeyoshi (2013-06) Beilstein journal of organic chemistry, 9: 1073-1082