On the reinterpretation of the experimental structure of a molecular standard: Tri-tert-butylmethane by CFF93 molecular mechanics and quantum mechanics

被引：6

作者：

Hagler, AT

Sharon, R

Hwang, MJ

机构：

[1] Biosym Technologies, Inc., San Diego, CA 92121

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1996年 / 118卷 / 15期

关键词：

D O I：

10.1021/ja9433176

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：3759 / 3760

页数：2

共 17 条

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[8] UREY-BRADLEY FORCE-FIELD, VALENCE FORCE-FIELD, AND ABINITIO STUDY OF INTRA-MOLECULAR FORCES IN TRI-TERT-BUTYLMETHANE AND ISOBUTANE
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[10] DERIVATION OF CLASS-II FORCE-FIELDS .2. DERIVATION AND CHARACTERIZATION OF A CLASS-II FORCE-FIELD, CFF93, FOR THE ALKYL FUNCTIONAL-GROUP AND ALKANE MOLECULES
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