Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Prediction of Dispersion Forces: Is There a Problem?

John F. Dobson, Keith McLennan, Angel Rubio, Jun Wang, Tim Gould, Hung M. Le and Bradley P. Dinte

Australian Journal of Chemistry 54(8) 513 - 527
Published: 01 February 2002

Abstract

We discuss the ability of a number of standard and non-standard computational techniques to reproduce dispersion forces, using examples from the literature as well as some new examples. We conclude that there are still some cases where standard methods are not so far successful. There are some promising directions under study, however.

Manuscript received: 15 March 2001

Final version: 26 October 2001.

http://dx.doi.org/10.1071/CH01052

© CSIRO 2001


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