TRANSFERABLE POTENTIAL FUNCTIONS FROM QUANTUM-MECHANICAL CALCULATIONS OF INTERMOLECULAR INTERACTION ENERGIES

被引：27

作者：

MARCHESE, FT ^{[1
]}

MEHROTRA, PK ^{[1
]}

BEVERIDGE, DL ^{[1
]}

机构：

[1] CUNY HUNTER COLL,NEW YORK,NY 10021

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 14期

关键词：

D O I：

10.1021/j100211a009

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：2592 / 2601

页数：10

共 36 条

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[8] ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .2. AMIDE HYDROGEN-BOND AND CALCULATION OF AMIDE CRYSTAL PROPERTIES
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[9] ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS
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[10] HEURISTIC INTER-MOLECULAR POTENTIAL FUNCTION FOR METHANE-WATER INTERACTION BASED ON ABINITIO QUANTUM-MECHANICAL CALCULATIONS
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