Evaluation of a finite multipole expansi
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Jane S. Murray; M. Edward Grice; Peter Politzer; James R. Rabinowitz
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Article
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1990
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John Wiley and Sons
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English
⚖ 692 KB
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