Molecular surface electrostatic potentia
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Jane S. Murray; Fakher Abu-Awwad; Peter Politzer; Leslie C. Wilson; Allan S. Tro
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Article
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1998
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John Wiley and Sons
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English
โ 421 KB
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The computed molecular surface electrostatic potentials of a group of anticonvulsants of various chemical types were investigated with the objective of identifying common features that may be related to their activities. The calculations were carried out with the density functional B3P86r6-31G\* pro