MOLECULAR MECHANICS (MM3) CALCULATIONS ON ALKYL RADICALS

被引：23

作者：

LIU, RF ^{[1
]}

ALLINGER, NL ^{[1
]}

机构：

[1] UNIV GEORGIA,DEPT CHEM,COMPUTAT CTR MOLEC STRUCT & DESIGN,ATHENS,GA 30602

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1994年 / 15卷 / 03期

关键词：

D O I：

10.1002/jcc.540150304

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The MM3 force field has been extended to cover alkyl radicals. Structures, conformational energies, vibrational spectra, and heats of formation have been well fit, mostly to ab initio data. (C) 1994 by John Wiley and Sons, Inc.

引用

页码：283 / 299

页数：17

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