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.
Coupled-Cluster and Many-Body Perturbation Study of Energies, Structures, and Phonon Dispersions of Solid Hydrogen Fluoride
Olaseni Sode; Murat Keceli; So Hirata; Kiyoshi Yagi
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109: 1928 (2009) Semantic Scholar
-
62.
Quantum and Classical Vibrational Relaxation Dynamics of N-Methylacetamide on Ab Initio Potential Energy Surfaces
Hiroshi Fujisaki; Kiyoshi Yagi; John E. Straub; Gerhard Stock
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109: 2047 (2009) Semantic Scholar
-
63.
Infrared Spectra of Water Molecule Encapsulated Inside Fullerene Studied by Instantaneous Vibrational Analysis
Kiyoshi Yagi; Daichi Watanabe
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109: 2080 (2009) Semantic Scholar
-
64.
First-Principles Quantum Calculations on the Infrared Spectrum and Vibrational Dynamics of the Guanine-Cytosine Base Pair
Kiyoshi Yagi; Hideyuki Karasawa; So Hirata; Kimihiko Hirao
CHEMPHYSCHEM 10: 1442 (2009) Semantic Scholar
-
65.
Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO+, HCO, HNO, HOO, HOO-, CH3+, and CH3
Murat Keceli; Toru Shiozaki; Kiyoshi Yagi; So Hirata
MOLECULAR PHYSICS 107: 1283 (2009) Semantic Scholar
-
66.
Predictive electronic and vibrational many-body methods for molecules and macromolecules
So Hirata; Kiyoshi Yagi
CHEMICAL PHYSICS LETTERS 464: 123 (2008) Semantic Scholar
-
67.
Water cluster anions studied by the long-range corrected density functional theory
Kiyoshi Yagi; Yuko Okano; Takeshi Sato; Yukio Kawashima (+1 著者) Kimihiko Hirao
JOURNAL OF PHYSICAL CHEMISTRY A 112: 9845 (2008) Semantic Scholar
-
68.
Anharmonic vibrational frequencies and vibrationally averaged structures and nuclear magnetic resonance parameters of FHF-
So Hirata; Kiyoshi Yagi; S. Ajith Perera; Shiori YamazakiKimihiko Hirao
JOURNAL OF CHEMICAL PHYSICS 128: (2008) Semantic Scholar
-
69.
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) Semantic Scholar
-
70.
Multiresolution potential energy surfaces for vibrational state calculations
Kiyoshi Yagi; So Hirata; Kimihiko Hirao
THEORETICAL CHEMISTRY ACCOUNTS 118: 681 (2007) Semantic Scholar
-
71.
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) Semantic Scholar
-
72.
Efficient configuration selection scheme for vibrational second-order perturbation theory
Kiyoshi Yagi; So Hirata; Kimihiko Hirao
JOURNAL OF CHEMICAL PHYSICS 127: (2007) Semantic Scholar
-
73.
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) Semantic Scholar
-
74.
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) Semantic Scholar
-
75.
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) Semantic Scholar
-
76.
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) Semantic Scholar
-
77.
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) Semantic Scholar
-
78.
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) Semantic Scholar
-
79.
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) Semantic Scholar
-
80.
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) Semantic Scholar
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。
201 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
