GENERATION OF UNKNOWN CRYSTAL PHASES FOR AROMATIC-HYDROCARBONS BY PACKING ENERGY CALCULATIONS

被引：47
|
作者：
BERNSTEIN, J
SARMA, JARP
GAVEZZOTTI, A
机构：
[1] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILAN,ITALY
[2] UNIV MILAN,CTR CNR,I-20133 MILAN,ITALY
来源：
CHEMICAL PHYSICS LETTERS | 1990年 / 174卷 / 3-4期
关键词：
D O I：
10.1016/0009-2614(90)85359-K
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：
Using geometrical inferences from known crystal structures of aromatic hydrocarbons, some novel orthorhombic crystal structures are proposed for naphthalene, anthracene and biphenyl. Their packing energies and relative stabilities are discussed. © 1990.
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页码：361 / 368
页数：8
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