ABINITIO STUDY OF THE RENNER-TELLER EFFECT IN THE 1-DELTA-G STATE OF CH2

被引：13

作者：

PERIC, M

PEYERIMHOFF, SD

BUENKER, RJ

机构：

[1] UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY

[2] BERG UNIV GESAMTHSCH WUPPERTAL, LEHRSTUHL THEORET CHEM, D-5600 WUPPERTAL 1, GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 105卷 / 01期

关键词：

D O I：

10.1016/0009-2614(84)80411-X

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

页码：44 / 48

页数：5

共 24 条

[1] LASER-INDUCED FLUORESCENCE SPECTROSCOPY OF THE CD2 (A-APPROXIMATELY 1A1) RADICAL - RENNER-TELLER EFFECT IN CH2 AND CD2
ASHFOLD, MNR
FULLSTONE, MA
HANCOCK, G
DUXBURY, G
[J]. MOLECULAR PHYSICS, 1982, 45 (04) : 887 - 896
[2] RENNER EFFECT IN A BENT TRIATOMIC MOLECULE EXECUTING A LARGE-AMPLITUDE BENDING VIBRATION
BARROW, T
DIXON, RN
DUXBURY, G
[J]. MOLECULAR PHYSICS, 1974, 27 (05) : 1217 - 1234
[3] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
BUENKER, RJ
PEYERIMH.SD
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
[4] ENERGY EXTRAPOLATION IN CI CALCULATIONS
BUENKER, RJ
PEYERIMHOFF, SD
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (03): : 217 - 228
[5] ABINITIO TREATMENT OF THE RENNER-TELLER EFFECT FOR THE X2B1 AND A2A1 ELECTRONIC STATES OF NH-2
BUENKER, RJ
PERIC, M
PEYERIMHOFF, SD
MARIAN, R
[J]. MOLECULAR PHYSICS, 1981, 43 (05) : 987 - 1014
[6] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
PEYERIMHOFF, SD
BUTSCHER, W
[J]. MOLECULAR PHYSICS, 1978, 35 (03) : 771 - 791
[7] RENNER EFFECT IN A NEARLY LINEAR MOLECULE WITH APPLICATION TO NH2
DIXON, RN
[J]. MOLECULAR PHYSICS, 1965, 9 (04) : 357 - &
[8] THE ELECTRONIC ABSORPTION SPECTRA OF NH2 AND ND2
DRESSLER, K
RAMSAY, DA
[J]. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1959, 251 (1002) : 553 - &
[9] RENNER EFFECT IN SIH2
DUBOIS, I
DUXBURY, G
DIXON, RN
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 : 799 - &
[10] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

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