AN ABINITIO CALCULATION OF THE POTENTIAL SURFACE AND ROTATION VIBRATION ENERGIES OF THE SILYL RADICAL

被引：33

作者：

BUNKER, PR ^{[1
]}

OLBRICH, G ^{[1
]}

机构：

[1] MAX PLANCK INST STRAHLENCHEM,D-4330 MULHEIM,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 109卷 / 01期

关键词：

D O I：

10.1016/0009-2614(84)85397-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：41 / 44

页数：4

共 14 条

[1] BRAUN VR, 1981, DOKL FIZ KHIM, V260, P876
[2] 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
[3] QUASILINEAR AND QUASIPLANAR MOLECULES
BUNKER, PR
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1983, 34 : 59 - 75
[4] ABINITIO ROTATION-VIBRATION ENERGIES OF H3O+
BUNKER, PR
KRAEMER, WP
SPIRKO, V
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 101 (01) : 180 - 185
[5] Davidson E.R., 1974, WORLD QUANTUM CHEM, P17
[6] ABINITIO STUDY OF THE VIBRATIONAL DEPENDENCE OF HYPERFINE COUPLING-CONSTANTS IN THE METHYL, SILYL, AND FORMALDEHYDE ANION RADICALS
ELLINGER, Y
PAUZAT, F
BARONE, V
DOUADY, J
SUBRA, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (12) : 6390 - 6397
[7] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[8] ELECTRON SPIN RESONANCE OF FREE RADICALS FORMED FROM GROUP-4 AND GROUP-5 HYDRIDES IN INERT MATRICES AT LOW TEMPERATURE
JACKEL, GS
GORDY, W
[J]. PHYSICAL REVIEW, 1968, 176 (02): : 443 - &
[9] AN SCF-CL STUDY OF THE STRUCTURES, INVERSION BARRIERS, AND INVERSION FREQUENCIES OF SIH3, PH3+, AND SH3++
MARYNICK, DS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (09) : 5186 - 5189
[10] CONTRACTED GAUSSIAN-BASIS SETS FOR MOLECULAR CALCULATIONS .1. 2ND ROW ATOMS, Z=11-18
MCLEAN, AD
CHANDLER, GS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) : 5639 - 5648

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