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Solvent effects. 1. The mediation of electrostatic effects by solvents

✍ Scribed by Wong, Ming Wah; Frisch, Michael J.; Wiberg, Kenneth B.


Book ID
111890695
Publisher
American Chemical Society
Year
1991
Tongue
English
Weight
931 KB
Volume
113
Category
Article
ISSN
0002-7863

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πŸ“œ SIMILAR VOLUMES


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We present the theory and implementation of a new approach for studying solvent effects. The electronic structure of the solute, calculated at the ab initio level, is obtained in the presence of the surrounding medium. We employ a mean field theory in which the solvent response is described by means