USE OF PARTIAL (AND FULL) LOWDIN INTEGRAL APPROXIMATIONS IN MOLECULAR-ORBITAL CALCULATIONS ON HCN AND FCN

被引：7

作者：

DIXON, M

DOGGETT, G

HOWAT, G

机构：

[1] UNIV READING, DEPT PHYS, READING RG6 2AF, ENGLAND

[2] UNIV EDINBURGH, DEPT CHEM, EDINBURGH, SCOTLAND

[3] UNIV YORK, DEPT CHEM, HESLINGTON, YORK YO1 5DD, ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1975年 / 71卷

关键词：

D O I：

10.1039/f29757100452

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：452 / 462

页数：11

共 28 条

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[3] A NEW METHOD OF APPROXIMATIVE CALCULATION OF POLYCENTRIC INTEGRALS USED IN THE QUANTUM MECHANICAL STUDY OF MOLECULAR STRUCTURE
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[5] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .9. REMARKS ON CYANO GROUP
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[6] APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES
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[J]. MOLECULAR PHYSICS, 1967, 13 (06) : 553 - &
[7] APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES .2.
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[J]. MOLECULAR PHYSICS, 1969, 17 (03) : 271 - &
[8] EVALUATION OF 2-ELECTRON INTEGRALS USING GAUSSIAN EXPANSIONS OF ORBITAL PRODUCTS
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ELDER, M
[J]. MOLECULAR PHYSICS, 1971, 22 (04) : 593 - +
[9] THEORETICAL STUDIES OF NITRILE SYSTEMS - CALCULATION OF SOME ONE ELECTRON PROPERTIES OF CN- AND HCN
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DOGGETT, G
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1973, 69 (02): : 298 - 303
[10] DOGGETT G, 1968, S FARADAY SOC, V2, P32

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