The Gradient Curves Method: An improved strategy for the derivation of molecular mechanics valence force fields from ab initio data

Contribution type

Poster

Publication date

June 2006

Authors

Verstraelen T.; Van Neck D.; Ayers P. W.; Van Speybroeck V.; Waroquier M.

11th International Conference on Theoretical Aspects of Catalysis

Germany

Berlin

11/06/2006 - 00:00 to 14/06/2006 - 23:59

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Berlin
Germany