Kyoto University Research Information Repository: 検索

DSpace

Kyoto University

検索

検索対象:
検索語

適用済条件:

検索をやり直す

検索条件の追加:

検索結果表示: 1-10 / 29.

前
1
2
3
次

検索結果:

書誌情報	ファイル
Quasirelativistic theory for the magnetic shielding constant. I. Formulation of Douglas-Kroll-Hess transformation for the magnetic field and its application to atomic systems Fukuda, R; Hada, M; Nakatsuji, H (2003-01-15) JOURNAL OF CHEMICAL PHYSICS, 118(3): 1015-1026
Effect of ion-exchanged alkali metal cations on the photolysis of 2-pentanone included within ZSM-5 zeolite cavities: a study of ab initio molecular orbital calculations Yamashita, H; Nishimura, M; Bessho, H; Takada, S; Nakajima, T; Hada, M; Nakatsuji, H; Anpo, M (2001) RESEARCH ON CHEMICAL INTERMEDIATES, 27(1-2): 89-102
Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study Honda, Y; Hada, M; Ehara, M; Nakatsuji, H (2002) JOURNAL OF CHEMICAL PHYSICS, 117(5): 2045-2052
Excited and ionized states of p-benzoquinone and its anion radical: SAC-CI theoretical study Honda, Y; Hada, M; Ehara, M; Nakatsuji, H (2002) JOURNAL OF PHYSICAL CHEMISTRY A, 106(15): 3838-3849
Electronic excitation and ionization spectra of cyclopentadiene: Revisit by the symmetry-adapted cluster-configuration interaction method Wan, J; Ehara, M; Hada, M; Nakatsuji, H (2000) JOURNAL OF CHEMICAL PHYSICS, 113(13): 5245-5252
Quasi-relativistic study of Hg-199 nuclear magnetic shielding constants of dimethylmercury, disilylmercury and digermylmercury Wan, J; Fukuda, R; Hada, M; Nakatsuji, H (2001) JOURNAL OF PHYSICAL CHEMISTRY A, 105(1): 128-133
Experimental study and ab initio molecular orbital calculation on the photolysis of n-butyrophenone included within the alkali metal cation-exchanged ZSM-5 zeolite Yamashita, H; Takada, S; Hada, M; Nakatsuji, H; Anpo, M (2003) JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 160(1-2): 37-42
Dirac-Fock calculations of the magnetic shielding constants of protons and heavy nuclei in XH2 & = O, S, Se, and Te): a comparison with quasi-relativistic calculations Hada, M; Fukuda, R; Nakatsuji, H (2000) CHEMICAL PHYSICS LETTERS, 321(5-6): 452-458
Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method Wan, J; Hada, M; Ehara, M; Nakatsuji, H (2001) JOURNAL OF CHEMICAL PHYSICS, 114(12): 5117-5123
Ionized and excited states of ferrocene: Symmetry adapted cluster-configuration-interaction study Ishimura, K; Hada, M; Nakatsuji, H (2002-10-08) JOURNAL OF CHEMICAL PHYSICS, 117(14): 6533-6537