𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A semiempirical formulation for the study of molecular interactions

✍ Scribed by Serafin Fraga

Book ID
102306397
Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
471 KB
Volume
3
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

The coefficients of a 1/R expansion (containing long‐range electrostatic interaction, medium‐range electrostatic‐induced dipole attraction, short‐range dispersive attraction, and very short overlap interaction terms) have been determined, within a semiempirical approach, from the results of a priori calculations. The formulation has been applied to the study of the stable conformations of benzene complexes.

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