AB-INITIO CRYSTAL ORBITAL TREATMENT OF HYDROGEN-FLUORIDE (HF) CHAINS

被引：29

作者：

KERTESZ, M

KOLLER, J

AZMAN, A

机构：

[1] HUNGARIAN ACAD SCI, CENT RES INST CHEM, 1525 BUDAPEST, HUNGARY

[2] B KIDRIC CHEM INST, 61001 LJUBLJANA, YUGOSLAVIA

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 36卷 / 05期

关键词：

D O I：

10.1016/0009-2614(75)85341-3

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：576 / 579

页数：4

共 11 条

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[7]

HEHRE WJ, GAUSSIAN 70

[8] HYDROGEN-BONDING IN LONG CHAINS OF HYDROGEN-FLUORIDE AND LONG CHAINS AND LARGE CLUSTERS OF WATER MOLECULES .10. LCAO-MO STUDIES ON MOLECULAR-STRUCTURE [J].

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THEORETICA CHIMICA ACTA, 1974, 34 (02) :115-127

[9]

KERTESZ M, TO BE PUBLISHED

[10] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS [J].

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