CALCULATION OF CRYSTAL-STRUCTURES OF HYDROCARBONS BY MOLECULAR PACKING ANALYSIS

被引：241
作者：
WILLIAMS, DE [1 ]
STARR, TL [1 ]
机构：
[1] UNIV LOUISVILLE,DEPT CHEM,LOUISVILLE,KY 40208
来源：
COMPUTERS & CHEMISTRY | 1977年 / 1卷 / 03期
关键词：
D O I：
10.1016/0097-8485(77)85007-9
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：173 / 177
页数：5
相关论文
共 7 条
[1]   POTENTIAL ENERGY FUNCTIONS FOR GRAPHITE [J].
CROWELL, AD .
JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (02) :446-447
[2]   PROCEDURE FOR OBTAINING ENERGY PARAMETERS FROM CRYSTAL PACKING [J].
HAGLER, AT ;
LIFSON, S .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1974, 30 (MAY15) :1336-1341
[3]   NEW APPROACH TO EMPIRICAL INTERMOLECULAR AND CONFORMATIONAL POTENTIAL-ENERGY FUNCTIONS .1. DESCRIPTION OF MODEL AND DERIVATION OF PARAMETERS [J].
SHIPMAN, LL ;
BURGESS, AW ;
SCHERAGA, HA .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1975, 72 (02) :543-547
[4]  
STARR TL, IN PRESS
[5]   REPULSION CENTER OF A BONDED HYDROGEN ATOM [J].
WILLIAMS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (12) :4424-&
[6]   COULOMBIC INTERACTIONS IN CRYSTALLINE HYDROCARBONS [J].
WILLIAMS, DE .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (JAN1) :71-77
[7]  
WILLIAMS DE, 1970, T AM CRYSTALLOGRAPHI, V6, P21
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