Parametrization of a force field for studying some beta-lactams |
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Authors: | Berta Fern ndez,Miguel A. Rí os |
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Affiliation: | Berta Fernández,Miguel A. Ríos |
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Abstract: | A molecular mechanics force field for studying some beta-lactams was developed from ab initio and experimental data. The optimized parameters allowed accurate calculation of the geometries of both the compounds on which the parametrization was based and others on which the validity of the predictions was checked. © 1994 by John Wiley & Sons, Inc. |
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