ELECTRONIC-STRUCTURE OF VINOXY RADICAL CH2CHO

被引：102

作者：

DUPUIS, M ^{[1
]}

WENDOLOSKI, JJ ^{[1
]}

LESTER, WA ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 01期

关键词：

D O I：

10.1063/1.442749

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：488 / 492

页数：5

相关论文

共 18 条

[1] GEOMETRY PREDICTIONS FOR CONJUGATED FREE-RADICALS CONTAINING 3 PI- ELECTRONS USING ABINITIO MO THEORY
BAIRD, NC
GUPTA, RR
TAYLOR, KF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) : 4531 - 4533
[2] ABINITIO MO PREDICTIONS FOR THE GEOMETRIES AND ENERGIES OF THE SIGMA-STATES AND PI-STATES OF SOME CONJUGATED FREE-RADICALS
BAIRD, NC
TAYLOR, KF
[J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1980, 58 (07): : 733 - 738
[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
POPLE, JA
HEHRE, WJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947
[4] BROOKS BR, THESIS U CALIFORNIA
[5] REACTION OF OXYGEN-ATOMS WITH ETHYLENE AND VINYL BROMIDE
BUSS, RJ
BASEMAN, RJ
HE, G
LEE, YT
[J]. JOURNAL OF PHOTOCHEMISTRY, 1981, 17 (3-4): : 389 - 396
[6] DUNNING TH, 1976, MODERN THEORETICAL C, V2
[7] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
DUPUIS, M
RYS, J
KING, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) : 111 - 116
[8] DUPUIS M, UNPUB
[9] DUPUIS M, 1980, NATL RESOUR COMPUT C, V1
[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +