ABINITIO CALCULATIONS OF THE STRUCTURE AND STABILITY OF THE NON-RIGID LIBF-4 MOLECULE

被引：21

作者：

ZAKZHEVSKII, VG

BOLDYREV, AI

CHARKIN, OP

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 73卷 / 01期

关键词：

D O I：

10.1016/0009-2614(80)85201-8

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：54 / 57

页数：4

共 14 条

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[2]

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[3] ABINITIO CALCULATION OF POTENTIAL-ENERGY SURFACE AND GEOMETRIC STRUCTURE OF LIBH4 NON-RIGID COMPLEX MOLECULE [J].

BOLDYREV, AI ;

CHARKIN, OP ;

RAMBIDI, NG ;

AVDEEV, VI .

CHEMICAL PHYSICS LETTERS, 1976, 44 (01) :20-24

[4] ABINITIO CALCULATION OF STRUCTURE OF A COMPLEX LIBEH3 MOLECULE [J].

BOLDYREV, AI ;

CHARKIN, OP ;

RAMBIDI, NG ;

AVDEEV, VI .

CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :239-242

[5] AB-INITIO CALCULATIONS OF POTENTIAL SURFACES AND GEOMETRY OF NONRIGID MOLECULES .1. COMPLEX MOLECULE LIBH4 [J].

BOLDYREV, AI ;

CHARKIN, OP ;

RAMBIDI, NG ;

AVDEEV, VI .

JOURNAL OF STRUCTURAL CHEMISTRY, 1977, 18 (01) :13-22

[6]

BOLDYREV AI, 1978, ZH STRUKT KHIM, V19, P203

[7]

BOLDYREV AI, 1980, RUSS J INORG CHEM, V25, P110

[8]

BOLDYREV AI, 1979, RUSSIAN J STRUCT CHE, V20, P969

[9]

Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1

[10] 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-+

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