Suitability of density functional methods for calculation of electrostatic properties

Journal of Computational Chemistry

Volumn 18, Issue 8, 1997, Pages 980-991

  Soliva, Robert ^a   Orozco, Modesto ^a   Luque, F Javier ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Density functional method (DFT); Electrostatic potential (ESP) derived charges; Molecular electrostatic potential (MEP)

Indexed keywords

EID: 0000630208     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199706)18:8<980::AID-JCC2>3.0.CO;2-M     Document Type: Article

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