MOLECULAR MECHANICS - CAUTIONARY NOTE

被引：24

作者：

WHITE, DNJ

ERMER, O

机构：

[1] UNIV GLASGOW,CHEM DEPT,GLASGOW G12 8QQ,SCOTLAND

[2] RUHR UNIV,LEHRSTUHL ORG CHEM,463 BOCHUM,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 31卷 / 01期

关键词：

D O I：

10.1016/0009-2614(75)80070-4

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：111 / 112

页数：2

共 18 条

[1]

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[2]

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BIXON, M ;

LIFSON, S .

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[4] METHOD FOR CALCULATION OF CONFORMATION OF MINIMUM POTENTIAL-ENERGY AND THERMODYNAMIC FUNCTIONS OF MOLECULES FROM EMPIRICAL VALENCE-FORCE POTENTIALS - APPLICATION TO CYCLOPHANES [J].

BOYD, RH .

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[5]

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[6] CRITICAL EVALUATION OF MOLECULAR MECHANICS [J].

ENGLER, EM ;

ANDOSE, JD ;

SCHLEYER, PV .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (24) :8005-8025

[7] CONSISTENT FORCE FIELD CALCULATIONS .3. VIBRATIONS, CONFORMATIONS, AND HEATS OF HYDROGENATION OF NONCONJUGATED OLEFINS [J].

ERMER, O ;

LIFSON, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (13) :4121-4132

[8]

ERMER O, TO BE PUBLISHED

[9]

HIMMELBLAU DM, 1972, NUMERICAL METHODS NO, P69

[10] INFLUENCE OF NONBONDED INTERACTIONS ON MOLECULAR GEOMETRY AND ENERGY - CALCULATION FOR HYDROCARBONS BASED ON UREY-BRADLEY FIELD [J].

JACOB, EJ ;

THOMPSON, HB ;

BARTELL, LS .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3736-&

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