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[文献書誌] H.Nakai: "Theoretical Study on the Thermal and Photochemical Isomerization Reactions of Dieyanoacetylene Complex of Platinum Pt(PH_3)_2(C_4N_2)" J.Phys.Chem.101(6). 973-980 (1997)
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[文献書誌] H.Nakai: "Mechanism of the Partial Oxidation of Ethylene on an Ag Surface : DAM Study" Surf.Sci.384. 315-333 (1997)
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[文献書誌] H.Nakai: "Activation of O_2 on Cu,Ag,and Au Surfaces for the Epoxidation of Ethylene : DAM Study" Surf.Sci.387. 328-341 (1997)
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[文献書誌] H.Nakai: "Theoretical Study on the Catalytic Activity of Ag Surface for the Oxidation of Olefins" Int.J.Quant.Chem.65. 839-855 (1997)
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[文献書誌] H.Nakai: "Electronic Structures of the Ground and Excited States of Mo(CO)_6 : SAC-CI Calculation and Frozen Orbital Analysis" Mol.Phys.92(3). 523-534 (1997)
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[文献書誌] H.Nakai: "Electronic Structures of the Ground and Excited States of MoF_6 and MoOF_4 : SAC-CI Calculation and Frozen Orbital Analysis" J.Phys.Chem.(in press). (1998)