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Volumn 19, Issue 13, 1998, Pages 1456-1469

Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions: III. Extension of the PESP method for calculation of electrostatic potential-derived atomic charges to compounds containing Li+, Na+, Mg2+, K+, Ca2+, Zn2+, and I

(1) Marynick, Dennis S a

a Valerian Software (United States)

Author keywords

Electrostatic; PESP; Potential; PRDDO

Indexed keywords

EID: 11644254534 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/(SICI)1096-987X(199810)19:13<1456::AID-JCC3>3.0.CO;2-P Document Type: Article

Times cited : (3)

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