INDO MOLECULAR ORBITAL STUDY OF HYPERFINE TENSORS - THEORY, METHODOLOGY, AND APPLICATIONS TO CH, CH3, AND RADICALOID DERIVATIVES OF MALONIC ACID

被引：34

作者：

BEVERIDGE, DL

MCIVER, JW

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1971年 / 54卷 / 11期

关键词：

D O I：

10.1063/1.1674742

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：4681 / +

页数：1

共 25 条

[1]

BARFIELD M, TO BE PUBLISHED

[2] Indo molecular orbital calculation of anisotropic hyperfine coupling constants [J].

Beveridge, David L. ;

McIver, James W., Jr. .

CHEMICAL PHYSICS LETTERS, 1969, 4 (03) :126-128

[3] SPIN CONTAMINATION IN SPIN-UNRESTRICTED INDO MOLECULAR-ORBITAL WAVEFUNCTIONS [J].

BEVERIDGE, DL ;

DOBOSH, PA .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (12) :5532-+

[4]

CARRINGTON A, 1967, INTRODUCTION MAGNETI

[5] THEORY OF PROTON HYPERFINE SPLITTINGS OF PI-ELECTRON FREE RADICALS .I. CH FRAGMENT [J].

CHANG, SY ;

DAVIDSON, ER ;

VINCOW, G .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) :529-&

[6] THEORY OF HYPERFINE SPLITTINGS OF PI-ELECTRON FREE RADICALS .2. NONEMPIRICAL CALCULATIONS OF METHYL RADICAL (PLANAR) [J].

CHANG, SY ;

DAVIDSON, ER ;

VINCOW, G .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (04) :1740-&

[7] HYPERFINE SPLITTINGS IN (HOOC)C13H(COOH) RADICAL [J].

COLE, T ;

HELLER, C .

JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (03) :1085-&

[8] THE ELECTRON SPIN RESONANCE SPECTRUM OF A GAMMA-IRRADIATED SINGLE CRYSTAL OF GLYCINE [J].

GHOSH, DK ;

WHIFFEN, DH .

MOLECULAR PHYSICS, 1959, 2 (03) :285-300

[9] THE CRYSTAL STRUCTURE OF MALONIC ACID [J].

GOEDKOOP, JA ;

MACGILLAVRY, CH .

ACTA CRYSTALLOGRAPHICA, 1957, 10 (02) :125-127

[10] APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .6. INDO CALCULATED EQUILIBRIUM GEOMETRIES [J].

GORDON, MS ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (10) :4643-&

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