THE SIMULATED ABINITIO MOLECULAR-ORBITAL (SAMO) METHOD .7. EXTENDED BASIS-SETS FOR MOLECULES AND POLYMERS

被引：8

作者：

DUKE, BJ

OLEARY, B

机构：

[1] UNIV PAPUA NEW GUINEA,DEPT CHEM,PORT MORESBY,PAPUA N GUINEA

[2] UNIV ALABAMA,DEPT CHEM,BIRMINGHAM,AL 35294

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 79卷 / 07期

关键词：

D O I：

10.1063/1.446191

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：3424 / 3433

页数：10

共 37 条

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[6] SIMULATED AB-INITIO MOLECULAR-ORBITAL TECHNIQUE .6. OPEN-SHELL RADICALS IN SPIN RESTRICTED FORMALISM
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[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (04) : 629 - 642
[7] COLLINS MPS, 1976, THESIS U LANCASTER
[8] USE OF LOCALIZED ORBITALS IN THEORETICAL STUDY OF MOLECULES .1. SATURATED-HYDROCARBONS
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[J]. THEORETICA CHIMICA ACTA, 1973, 30 (03): : 243 - 256
[9] ORTHOGONALIZED HYBRID ORBITALS IN THEORETICAL STUDY OF POLYATOMIC SYSTEMS .1. SATURATED-HYDROCARBONS
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[J]. THEORETICA CHIMICA ACTA, 1974, 36 (02): : 109 - 115
[10] ON THE TRANSFERABILITY OF FOCK MATRIX-ELEMENTS
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[J]. THEORETICA CHIMICA ACTA, 1983, 62 (03): : 223 - 244

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