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Relationships of molecular surface electrostatic potentials to some macroscopic properties

✍ Scribed by Jane S. Murray; Tore Brinck; Peter Politzer


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
677 KB
Volume
204
Category
Article
ISSN
0301-0104

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The distribution of molecular electrostatic potential (MEP) on a surface is a common model used to describe simultaneously steric properties (e.g., size, shape) and reactive properties (e.g., electro-and nucleophilic positions) of a molecule. In this work, we analyze some relations between these two