MOLECULAR-DYNAMICS STUDY OF REORIENTATIONAL MOTION IN SOLID BENZENE

被引：5

作者：

CRAVEN, CJ

HATTON, PD

PAWLEY, GS

机构：

[1] Department of Physics, The University of Edinburgh, Edinburgh, EH9 3JZ, King’s Buildings, Mayfield Road

[2] The Krebs Institute for Biomolecular Research, Dept. of Molecular Biology and Biotechnology, University of Sheffield, Sheffield

来源：

MOLECULAR PHYSICS | 1993年 / 79卷 / 06期

关键词：

D O I：

10.1080/00268979300101951

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：

The nature of molecular reorientations in a molecular dynamics simulation of crystalline benzene is extensively studied. The model is shown to reproduce well the experimentally determined temperature and pressure dependence of the reorientation rate. The correlations of reorientational events are examined in more detail than is possible experimentally; reorientations are found to occur predominantly as isolated events, both spatially and temporally, contrary to some previous ideas.

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收藏

页码：1227 / 1238

页数：12

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