THEORY OF MOLECULAR-INTERACTIONS .3. COMPARISON OF STUDIES OF H2O POLYMERS USING DIFFERENT MOLECULAR-ORBITAL BASIS SETS

被引：146

作者：

DELBENE, JE ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 09期

关键词：

D O I：

10.1063/1.1679707

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：3605 / 3608

页数：4

共 13 条

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[8] THEORY OF HYDROGEN BOND - AB-INITIO CALCULATIONS ON HYDROGEN FLUORIDE DIMER AND MIXED WATER-HYDROGEN FLUORIDE DIMER [J].

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[9]

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[10] MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS - DIMERIC H20 WITH SLATER MINIMAL BASIS SET [J].

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