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The use of the electrostatic potential at the molecular surface in recognition interactions: Dibenzo-p-dioxinsand related systems

✍ Scribed by Per Sjoberg; Jane S. Murray; Tore Brinck; Patricia Evans; Peter Politzer


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
547 KB
Volume
8
Category
Article
ISSN
0263-7855

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The electrostatic potential V(r) that the nuclei and electrons of a molecule create in the surrounding space is well established as a guide in the study of molecular reactivity, and particularly, of biological recognition processes. Its rigorous computation is, however, very demanding of computer ti