CALCULATION OF HYPERFINE COUPLING-CONSTANTS OF NF2 AND PF2 BY UHF AND CI METHODS

被引：3

作者：

KENDRICK, J

HILLIER, IH

GUEST, MF

机构：

[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND

[2] SRC ATLAS COMP LAB,DIDCOT OX11 0OY,BERKSHIRE,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 33卷 / 01期

关键词：

D O I：

10.1016/0009-2614(75)85479-0

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：173 / 175

页数：3

共 16 条

[1] THEORETICAL STUDY OF GEOMETRY OF PH3, PF3 AND THEIR GROUND IONIC STATES [J].

AARONS, LJ ;

GUEST, MF ;

HALL, MB ;

HILLIER, IH .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1973, 69 (05) :643-647

[2]

AMOS AT, 1964, J CHEM PHYS, V41, P1773

[3] ELECTRONIC-STRUCTURE OF NF2 RADICAL [J].

BROWN, RD ;

BURDEN, FR ;

HART, BT ;

WILLIAMS, GR .

THEORETICA CHIMICA ACTA, 1973, 28 (04) :339-353

[4] 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-&

[5] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].

CLEMENTI, E .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&

[6] AB-INITIO MOLECULAR-ORBITAL STUDY OF PF-2 RADICAL [J].

COBB, JC ;

HINCHLIFFE, A .

CHEMICAL PHYSICS LETTERS, 1974, 24 (01) :75-76

[7] CALCULATED PROPERTIES FOR NO PI-2 AND A SIGMA-2+ .2. CONFIGURATION INTERACTION [J].

GREEN, S .

CHEMICAL PHYSICS LETTERS, 1973, 23 (01) :115-119

[8] AB-INITIO MOLECULAR-ORBITAL STUDY OF NF2 AND N2F4 MOLECULES, AND ESR HYPERFINE COUPLING-CONSTANTS IN NF2 [J].

HINCHLIF.A ;

COBB, JC .

CHEMICAL PHYSICS, 1974, 3 (02) :271-276

[9] ELECTRON SPIN RESONANCE STUDIES OF ORIENTED NO2 AND NF2 IN INERT MATRICES AT LOW TEMPERATURES [J].

MCDOWELL, CA ;

NAKAJIMA, H ;

RAGHUNAT.P .

CANADIAN JOURNAL OF CHEMISTRY, 1970, 48 (05) :805-&

[10] ELECTRON SPIN RESONANCE OF TRAPPED PF2 AND PF4 RADICALS [J].

NELSON, W ;

JACKEL, G ;

GORDY, W .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (09) :4572-&

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