Electronic Resource
New York, NY [u.a.]
:
Wiley-Blackwell
Journal of Computational Chemistry
15 (1994), S. 1377-1392
ISSN:
0192-8651
Keywords:
Computational Chemistry and Molecular Modeling
;
Biochemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
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.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jcc.540151208
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