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。
オープンアクセス版の論文は「つくばリポジトリ」で読むことができます。
-
61.
Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6
Kiyoshi Yagi; So Hirata; Kimihiko Hirao
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10: 1781 (2008)
-
62.
Multiresolution potential energy surfaces for vibrational state calculations
Kiyoshi Yagi; So Hirata; Kimihiko Hirao
THEORETICAL CHEMISTRY ACCOUNTS 118: 681 (2007)
-
63.
Quantum dynamics of N-methylacetamide studied by the vibrational configuration interaction method
Hiroshi Fujisaki; Kiyoshi Yagi; Kimihiko Hirao; John E. Straub
CHEMICAL PHYSICS LETTERS 443: 6 (2007)
-
64.
Efficient configuration selection scheme for vibrational second-order perturbation theory
Kiyoshi Yagi; So Hirata; Kimihiko Hirao
JOURNAL OF CHEMICAL PHYSICS 127: (2007)
-
65.
Fermi resonance in CO2: A combined electronic coupled-cluster and vibrational configuration-interaction prediction
Valerie Rodriguez-Garcia; So Hirata; Kiyoshi Yagi; Kimihiko Hirao (+2 著者) Mitsuo Tasumi
JOURNAL OF CHEMICAL PHYSICS 126: (2007)
-
66.
Anharmonic vibrational state calculations in the electronic excited states studied by time-dependent density functional theory
Seiken Tokura; Kiyoshi Yagi; Takao Tsuneda; Kimihiko Hirao
CHEMICAL PHYSICS LETTERS 436: 30 (2007)
-
67.
Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules
Valerie Rodriguez-Garcia; Kiyoshi Yagi; Kimihiko Hirao; Suehiro IwataSo Hirata
JOURNAL OF CHEMICAL PHYSICS 125: (2006)
-
68.
Unidirectional electronic ring current driven by a few cycle circularly polarized laser pulse: Quantum model simulations for Mg-porphyrin
Ingo Barth; Joern Manz; Yasuteru Shigeta; Kiyoshi Yagi
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128: 7043 (2006)
-
69.
Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane
C Oyanagi; K Yagi; T Taketsugu; K Hirao
JOURNAL OF CHEMICAL PHYSICS 124: (2006)
-
70.
Nonadiabatic chemical dynamics in an intense laser field: Electronic wave packet coupled with classical nuclear motions
K Yagi; K Takatsuka
JOURNAL OF CHEMICAL PHYSICS 123: (2005)
-
71.
A vibrational analysis of the 7-azaindole-water complex: Anharmonicities using the quartic force field
T Taketsugu; K Yagi; MS Gordon
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 104: 758 (2005)
-
72.
Effect of out-of-plane vibration on the hydrogen atom transfer reaction in malonaldehyde
K Yagi; GV Mil'nikov; T Taketsugu; K HiraoH Nakamura
CHEMICAL PHYSICS LETTERS 397: 435 (2004)
-
73.
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)
-
74.
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)
-
75.
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)
-
76.
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)
-
77.
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)
-
78.
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)
-
79.
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)
-
80.
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)
書籍等出版物情報はまだありません。
講演・口頭発表情報はまだありません。
知財情報はまだありません。
19 total views
この研究者の他の情報源
ORCID
キーワードが似ている研究者
この研究者の情報を共有
