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Parametrization of a force field for studying some beta-lactams

✍ Scribed by Berta Fernández; Miguel A. Ríos

Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
650 KB
Volume
15
Category
Article
ISSN
0192-8651

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✦ Synopsis

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.

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