REPRESENTATIONS OF MOLECULAR FORCE-FIELDS - ETHANE - ABINITIO AND MODEL, HARMONIC AND ANHARMONIC

被引：44

作者：

BARTELL, LS

FITZWATER, S

HEHRE, WJ

机构：

[1] UNIV MICHIGAN,CHEM DEPT,ANN ARBOR,MI 48104

[2] UNIV CALIF,CHEM DEPT,IRVINE,CA 92664

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 63卷 / 11期

关键词：

D O I：

10.1063/1.431262

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

收藏

页码：4750 / 4758

页数：9

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[3] BARTELL L. S., 1961, IOWA STATE JOUR SCI, V36, P137
[4] ELECTRON DIFFRACTION STUDY OF STRUCTURES OF ETHANE AND DEUTEROETHANE
BARTELL, LS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (03) : 851 - +
[5] DERIVATION OF PHYSICALLY SIGNIFICANT NONBONDED INTERACTION CONSTANTS IN HYDRIDES BY A MODIFIED UREY-BRADLEY ANALYSIS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (04) : 691 - +
[6] EFFECTS OF ANHARMONICITY OF VIBRATION ON THE DIFFRACTION OF ELECTRONS BY FREE MOLECULES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (07) : 1219 - 1222
[7] AB-INITIO STUDY OF SECONDARY ISOTOPE-EFFECTS ON MOLECULAR-STRUCTURE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (07) : 3042 - 3045
[8] BARTELL LS, 1973, CHEM COMMUN, P787
[9] BARTELL LS, UNPUBLISHED RESEARCH
[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +

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