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Super-molecule calculations of intermolecular forces between long-chain molecules

โœ Scribed by Leon L. Combs; Lawrence J. Dunne


Book ID
119115679
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
699 KB
Volume
87
Category
Article
ISSN
0166-1280

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## Abstract Presenting a relatively simple __ab initio__ method to calculate full van der Waals interaction potentials between molecules, we give rules for the optimization of basis functions which permit the reliable evaluation of second order long range interactions. Closed expressions for the lo