AB-INITIO CALCULATION OF SPIN DIPOLE-DIPOLE PARAMETERS FOR METHYLENE

被引：55

作者：

LANGHOFF, SR ^{[1
]}

DAVIDSON, ER ^{[1
]}

机构：

[1] UNIV WASHINGTON,CHEM DEPT,SEATTLE,WA 98195

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 04期

关键词：

D O I：

10.1002/qua.560070413

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：759 / 777

页数：19

共 38 条

[11] BAKERIAN LECTURE - SPECTRA AND STRUCTURES OF FREE METHYL AND FREE METHYLENE [J].

HERZBERG, G .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 262 (1310) :291-+

[12]

Herzberg G., 1945, INFRARED RAMAN SPECT

[13] ZERO-FIELD SPLITTINGS IN MOLECULAR MULTIPLETS - SPIN-SPIN INTERACTION OF METHYLENE DERIVATIVES [J].

HIGUCHI, J .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (05) :1237-&

[14] ON EFFECT OF BOND ANGLE IN ELECTRON SPIN-SPIN INTERACTION - METHYLENE DERIVATIVES [J].

HIGUCHI, J .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (05) :1339-&

[15] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[16] SPIN DIPOLE-DIPOLE INTERACTION IN O2 [J].

KAYAMA, K .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (02) :622-&

[17] GAUSSIAN-TRANSFORM METHOD FOR MOLECULAR INTEGRALS .2. EVALUATION OF MOLECULAR PROPERTIES [J].

KERN, CW ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (02) :415-&

[18] ELECTRONIC STRUCTURE OF SIMPLE HOMONUCLEAR DIATOMIC MOLECULES .1. OXYGEN MOLECULE [J].

KOTANI, M ;

MIZUNO, Y ;

KAYAMA, K ;

ISHIGURO, E .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1957, 12 (06) :707-736

[19] TRIPLET-SINGLET TRANSITIONS IN ORGANIC MOLECULES - LIFETIME MEASUREMENTS OF THE TRIPLET STATE [J].

MCCLURE, DS .

JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (10) :905-913

[20] GEOMETRY AND FORCE CONSTANT DETERMINATION FROM CORRELATED WAVE-FUNCTIONS FOR POLYATOMIC-MOLECULES - GROUND-STATES OF H2O AND CH2 [J].

MCLAUGHLIN, DR ;

SCHAEFER, HF ;

BENDER, CF .

THEORETICA CHIMICA ACTA, 1972, 25 (04) :352-+

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