ホーム > 八木 清/ YAGI, Kiyoshi
八木 清
YAGI, Kiyoshi
数理物質系化学域 , 教授 Department of Chemistry, Institute of Pure Science , Professor
関連記事はまだありません。
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81.
Ab initio vibrational state calculations with a quartic force field: Applications to H2CO, C2H4, CH3OH, CH3CCH, and C6H6
K Yagi; K Hirao; T Taketsugu; MW SchmidtMS Gordon
JOURNAL OF CHEMICAL PHYSICS 121: 1383 (2004) Semantic Scholar
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82.
The effect of spin-orbit coupling on fast neutral chemical reaction O(P-3)+CH3 -> CH3O
K Yagi; T Takayanagi; T Taketsugu; K Hirao
JOURNAL OF CHEMICAL PHYSICS 120: 10395 (2004) Semantic Scholar
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83.
Simple and accurate method to evaluate tunneling splitting in polyatomic molecules
GV Mil'nikova; K Yagi; T Taketsugu; H NakamuraK Hirao
JOURNAL OF CHEMICAL PHYSICS 120: 5036 (2004) Semantic Scholar
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84.
Tunneling splitting in polyatomic molecules: Application to malonaldehyde
GV Mil'nikov; K Yagi; T Taketsugu; H NakamuraK Hirao
JOURNAL OF CHEMICAL PHYSICS 119: 10 (2003) Semantic Scholar
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85.
Ab initio potential energy surface for vibrational state calculations of H2CO
K Yagi; C Oyanagi; T Taketsugu; K Hirao
JOURNAL OF CHEMICAL PHYSICS 118: 1653 (2003) Semantic Scholar
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86.
A new analytic form of ab initio potential energy function: An application to H2O
K Yagi; T Taketsugu; K Hirao
JOURNAL OF CHEMICAL PHYSICS 116: 3963 (2002) Semantic Scholar
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87.
Generation of full-dimensional potential energy surface of intramolecular hydrogen atom transfer in malonaldehyde and tunneling dynamics
K Yagi; T Taketsugu; K Hirao
JOURNAL OF CHEMICAL PHYSICS 115: 10647 (2001) Semantic Scholar
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88.
Direct vibrational self-consistent field method: Applications to H2O and H2CO
K Yagi; T Taketsugu; K Hirao; MS Gordon
JOURNAL OF CHEMICAL PHYSICS 113: 1005 (2000) Semantic Scholar
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