THEORETICAL STUDIES OF CH3, CH3(+) AND CH3(-) USING CORRELATED WAVEFUNCTIONS

被引：48

作者：

SURRATT, GT ^{[1
]}

GODDARD, WA ^{[1
]}

机构：

[1] CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125

来源：

CHEMICAL PHYSICS | 1977年 / 23卷 / 01期

关键词：

D O I：

10.1016/0301-0104(77)89041-1

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：39 / 50

页数：12

共 28 条

[21] IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .V. SPIN-COUPLING OPTIMIZED GI METHOD [J].

LADNER, RC ;

GODDARD, WA .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (03) :1073-&

[22] ELECTRON-AFFINITY OF METHYL RADICAL - STRUCTURES OF CH3 AND CH3- [J].

MARYNICK, DS ;

DIXON, DA .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1977, 74 (02) :410-413

[23]

MILLIE P, 1968, INT J QUANT CHEM S, V2, P67

[24] STRUCTURE OF CH3 AND CF3 [J].

MOROKUMA, K ;

PEDERSEN, L ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (10) :4801-&

[25] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS [J].

POPLE, JA ;

GORDON, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) :4253-&

[26]

SCHAEFER HF, 1972, ELECT STRUCTURE ATOM, P129

[27] INFRARED-SPECTRUM OF GASEOUS METHYL RADICAL BY RAPID SCAN SPECTROSCOPY [J].

TAN, LY ;

WINER, AM ;

PIMENTEL, GC .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (09) :4028-&

[28]

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