SPATIALLY PROJECTED GENERALIZED VALENCE BOND DESCRIPTION OF PI-STATES OF ALLYL RADICAL

被引：16

作者：

LEVIN, G ^{[1
]}

GODDARD, WA ^{[1
]}

机构：

[1] CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109

来源：

THEORETICA CHIMICA ACTA | 1975年 / 37卷 / 04期

关键词：

D O I：

10.1007/BF01028395

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：253 / 267

页数：15

相关论文

共 13 条

[1] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[2] DUNNING TH, 1971, COMMUNICATION
[3] IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .2. BASIC METHOD
GODDARD, WA
[J]. PHYSICAL REVIEW, 1967, 157 (01): : 81 - &
[4] FREE-RADICAL AND MOLECULE THERMOCHEMISTRY FROM STUDIES OF GAS-PHASE IODINE-ATOM REACTIONS
GOLDEN, DM
BENSON, SW
[J]. CHEMICAL REVIEWS, 1969, 69 (01) : 125 - &
[5] HERZBERG G, 1967, MOLECULAR SPECTRA MO, V3
[6] ELECTRONIC STRUCTURES AND FORMULA - ALLYL CATION, RADICAL, AND ANION
HIRST, DM
LINNETT, JW
[J]. JOURNAL OF THE CHEMICAL SOCIETY, 1962, (MAR): : 1035 - &
[7] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[8] IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .V. SPIN-COUPLING OPTIMIZED GI METHOD
LADNER, RC
GODDARD, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (03) : 1073 - &
[9] LADNER RC, 1972, THESIS CALIFORNIA I
[10] GENERALIZED VALENCE BOND PI ORBITALS OF ETHYLENE AND ALLYL CATION
LEVIN, G
GODDARD, WA
HUESTIS, DL
[J]. CHEMICAL PHYSICS, 1974, 4 (03) : 409 - 416