FINITE PERTURBATION CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANT FOR HYDROGEN-FLUORIDE MOLECULE

被引：5

作者：

FUKUI, H

SANYOSHI, A

MIURA, K

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 02期

关键词：

D O I：

10.1063/1.436616

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：943 / 944

页数：2

共 23 条

[1] CONVERGENCE OF PERTURBATION THEORY EXPANSION FOR SPIN-SPIN COUPLING CONSTANTS [J].

ADAM, W ;

GRIMISON, A ;

SPRANGLE, PA .

THEORETICA CHIMICA ACTA, 1970, 18 (04) :385-&

[2] ELECTRONIC SPECTRA OF ISOELECTRONIC AMIDES ACIDS AND ACYL FLUORIDES [J].

BASCH, H ;

ROBIN, MB ;

KUEBLER, NA .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) :5007-&

[3] ELECTRONIC STATES OF AMIDE GROUP [J].

BASCH, H ;

ROBIN, MB ;

KUEBLER, NA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) :1201-&

[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[5] A CNDO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING CONSTANTS IN HYDROCARBONS [J].

DITCHFIELD, R ;

MURRELL, JN .

MOLECULAR PHYSICS, 1968, 14 (05) :481-+

[6] COMPARISON OF SUM-OVER-STATES AND FINITE PERTURBATION THEORIES OF ELECTRICAL POLARIZABILITY AND NUCLEAR SPIN-SPIN COUPLING [J].

DITCHFIELD, R ;

OSTLUND, NS ;

MURRELL, JN ;

TURPIN, MA .

MOLECULAR PHYSICS, 1970, 18 (04) :433-+

[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].

HEHRE, WJ ;

DITCHFIELD, R ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+

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

HUZINAGA, S .

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

[10] PERTURBATIONAL CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING CONSTANT FOR HYDROGEN FLUORIDE MOLECULE [J].

KATO, Y ;

SAIKA, A .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1975-&

← 1 2 3 →