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Anisotropy of atom–atom repulsions
Author(s) -
Stone A. J.,
Tong C.S.
Publication year - 1994
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540151208
Subject(s) - anisotropy , atom (system on chip) , range (aeronautics) , intermolecular force , particle (ecology) , physics , statistical physics , chemistry , quantum mechanics , materials science , molecule , computer science , oceanography , composite material , embedded system , geology
We describe investigations of the short‐range repulsion part of the intermolecular potential using a test particle approach. This approach provides an economical method of constructing reasonably accurate model repulsion potentials and demonstrates the importance of anisotropy in describing the short‐range repulsion. © 1994 by John Wiley & Sons, Inc.
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