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.

引用

页码：361 / 368

页数：8

共 30 条

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