Charges derived from electrostatic potentials: Exploring dependence on theory and geometry optimization levels for dipole moments

Chemical Physics Letters

Volumn 409, Issue 1-3, 2005, Pages 29-33

  Maciel, Glauciete S ^a   Garcia, Edgardo ^a  

^a UNIVERSITY OF BRASILIA   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

COSTS; DATA REDUCTION; DATABASE SYSTEMS; ELECTRIC CHARGE; MOLECULAR DYNAMICS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

ABSOLUTE DEVIATION; CHARGE FROM ELECTROSTATIC POTENTIAL (CHELP); CHARGE MODELS; ELECTROSTATIC POTENTIALS;

ELECTROSTATICS;

EID: 19844380956     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.04.075     Document Type: Article

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