Simulation of molecular reorientation in crystals
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资源简介：
Title of program: ORIENT
Catalogue Id: AADZ_v1_0
Nature of problem
Phase transitions of the lambda-type are common in molecular crystals where disorder-order transformations are possible because of molecular reorientation. Simulation in terms of the total interaction of a rotating molecule with the whole lattice is often inconclusive and the physical process would be better simulated by reorientation in a non- static environment.
Versions of this program held in the CPC repository in Mendeley Data
AADZ_v1_0; ORIENT; 10.1016/0010-4655(86)90133-5
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
