화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Multireference perturbation theory for large restricted and selected active space reference wave functions
Celani P, Werner HJ
Journal of Chemical Physics, 112(13), 5546, 2000
2 Reevaluation of the gas-phase valence photoelectron spectra of octaethylporphyrin and tetraphenylporphyrin
Gruhn NE, Lichtenberger DL, Ogura H, Walker FA
Inorganic Chemistry, 38(18), 4023, 1999
3 Theoretical study of the Q and B bands of free-base, magnesium, and zinc porphyrins, and their derivatives
Hashimoto T, Choe EK, Nakano H, Hirao K
Journal of Physical Chemistry A, 103(12), 1894, 1999
4 Coupled-cluster calculations of the electronic excitation spectrum of free base porphin in a polarized basis
Gwaltney SR, Bartlett RJ
Journal of Chemical Physics, 108(16), 6790, 1998
5 Transition energies of lanthanum, actinium, and eka-actinium (element 121)
Ishikawa Y
Journal of Chemical Physics, 109(10), 3954, 1998
6 Auger Spectrum of Octatetraene by a 2-Particle Propagator Method
Liegener CM
Journal of Chemical Physics, 104(8), 2940, 1996
7 Auger-Spectra of CF4 in the Light of Foreign Imaging
Gottfried FO, Cederbaum LS, Tarantelli F
Journal of Chemical Physics, 104(24), 9754, 1996
8 Frozen-Orbital Analysis of the Excited-States of Metal-Complexes in High Symmetry - O-H Case
Nakai H, Morita H, Nakatsuji H
Journal of Physical Chemistry, 100(39), 15753, 1996
9 Collision-Induced Absorption-Spectra and Line Broadening of Csrg System (Rg=xe, Kr, Ar, Ne) Studied by the Symmetry-Adapted Cluster-Configuration Interaction (Sac-CI) Method
Ehara M, Nakatsuji H
Journal of Chemical Physics, 102(17), 6822, 1995
10 Theoretical-Study on the Excitation Spectrum and the Photofragmentation Reaction of Ni(Co)(4)
Hada M, Imai Y, Hidaka M, Nakatsuji H
Journal of Chemical Physics, 103(16), 6993, 1995