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[文献書誌] T.Homma, I.Komatu, A.Tamaki, H.Nakai, T.Osaka: "Molecular orbital study on the reaction mechanisms of electroless deposition processes"Electrochimica Acta.. 47(1,2). 47-53 (2001)
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[文献書誌] Y.Kawamura, T.Nagasawa, H.Nakai: "π^*-σ^* Hyperconjugation mechanism on the rotational barrier of the methyl group(III) : Methyl-azabenzenes in the ground, excited, and anionic states"J. Chem. Phys.. 114(19). 8357-8363 (2001)
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[文献書誌] H.Nakai, K.Sodeyama, M.Hoshino: "Non Born-Oppenheimer theory for simultaneous determination of vibrational and electronic excited states : Ab initio NO+MO/CIS theory"Chem. Phys. Lett.. 345(1,2). 118-124 (2001)
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[文献書誌] M.Kawai, H.Nakai: "π^*-σ^* Hyperconjugation mechanism on methyl rotation in cationic state of substituted toluenes"Chem. Phys.. 273(2,3). 191-196 (2001)
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[文献書誌] H.Nakai: "Simultaneous determination of nuclear and electronic wave functions without Born-Oppenheimer approximation : Ab initio NO+MO/HF theory"Int. J. Quant. Chem.. 86(6). 511-517 (2002)
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[文献書誌] Y.Okada, H.Nakai, T.Ichikawa, T.Orii, K.Takeuchi: "The stability of ammonia cluster ions and its relation to nucleation rate"J. Aerosol Research, Japan. (in press). (2002)