INDO-SCF AND CI CALCULATIONS ON TRANS-CIS ISOMERIZATION OF AZOMETHANE IN GROUND-STATE AND IN EXCITED-STATES

被引：20

|

作者：

OLBRICH, G

机构：

来源：

CHEMICAL PHYSICS | 1978年 / 27卷 / 01期

关键词：

D O I：

10.1016/0301-0104(78)85167-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

收藏

页码：117 / 125

页数：9

相关论文

共 50 条

[41] THEORETICAL-STUDY OF THE GROUND-STATE AND EXCITED-STATE REACTIVITY OF NA + FH - COMPARISON OF SCF-CI AND VB TREATMENTS
SEVIN, A
HIBERTY, PC
LEFOUR, JM
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (06) : 1845 - 1852
[42] PICOSECOND TIME-RESOLVED ABSORPTION STUDIES OF VARIOUS RETINYLIDENEACETALDEHYDE ISOMERS - CIS-TRANS ISOMERIZATION IN THE EXCITED-STATES
HIRATA, Y
MATAGA, N
MUKAI, Y
KOYAMA, Y
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (20): : 5238 - 5241
[43] PSEUDOPOTENTIAL MRD CI CALCULATIONS OF NICKEL-CONTAINING MOLECULES .2. THE ELECTRONIC 1-SIGMA+ GROUND-STATE AND 20 LOW-LYING EXCITED-STATES OF THE NISI MOLECULE
HABERLANDT, H
CHEMICAL PHYSICS, 1989, 138 (2-3) : 315 - 325
[44] VALENCE-BOND DESCRIPTION FOR THE GROUND-STATE AND SEVERAL LOW-LYING EXCITED-STATES OF LIH
MO, YR
WU, W
ZHANG, QN
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1993, 102 : 237 - 249
[45] THEORETICAL-STUDIES ON THE GROUND-STATE AND LOW-LYING DOUBLET EXCITED-STATES OF THE PROPARGYL RADICAL
HONJOU, H
YOSHIMINE, M
PACANSKY, J
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (17): : 4455 - 4459
[46] QUANTUM SIMULATION OF NONSEPARABLE VIBRATIONS AND FRANCK-CONDON OVERLAP - GROUND-STATE AND LOW EXCITED-STATES
HEITZSCH, O
LORENZ, W
CHEMICAL PHYSICS, 1991, 149 (03) : 353 - 359
[47] ELECTRONIC STRUCTURE (SCF-CI) AND PHYSICAL PROPERTIES OF TRANS-AZOBENZENE AND ITS AMINO DERIVATIVES IN GROUND AND EXCITED STATE
BONTSCHEV, D
RATSCHIN, E
MONATSHEFTE FUR CHEMIE, 1970, 101 (05): : 1454 - +
[48] SCF AND MRD-CI STUDY OF GROUND AND EXCITED-STATES OF HE + H-2 SYSTEM .1. CALCULATED POTENTIAL SURFACES
ROMELT, J
PEYERIMHOFF, SD
BUENKER, RJ
CHEMICAL PHYSICS, 1978, 34 (03) : 403 - 422
[49] INDO MOLECULAR-ORBITAL CALCULATIONS ON GROUND AND EXCITED-STATES OF RU(NH3)5L COMPLEXES
NAYAK, K
WESTBROOK, JD
KROGHJESPERSEN, K
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1986, 191 : 101 - INOR
[50] GROUND-STATE AND EXCITED (3S13P1)-STATE REACTIVITY OF MG WITH HF - A THEORETICAL ABINITIO SCF-CI STUDY
CHAQUIN, P
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (06): : 1440 - 1443

← 1 2 3 4 5 →