Prediction of Dispersion Forces: Is there a Problem?

Australian Journal Of Chemistry 54, 513 - 527 (2001)

Prediction of Dispersion Forces: Is there a Problem?

J.F. Dobson, K. McLennan, A. Rubio, J. Wang, T. Gould, H.M. Le, B.P. Dinte

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.

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

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