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Journal of Computational Chemistry

Volumn 18, Issue 6, 1997, Pages 744-756

VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods

(3) Beck, Bernd a Clark, Timothy a Glen, Robert C b,c

a UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

b WELLCOME RESEARCH LABORATORIES (United Kingdom)

c TRIPOS INC (United States)

Author keywords

Computational chemistry; ESP atomic charges; QSAR; Semiempirical MO methods

Indexed keywords

EID: 0001669370 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/(SICI)1096-987X(19970430)18:6<744::AID-JCC2>3.0.CO;2-S Document Type: Article

Times cited : (38)

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