Mixed QM/MM molecular electrostatic potentials

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 4, 2000, Pages 329-339

  Hernández, Begoña ^a   Luque, F Javier ^a   Orozco, Modesto ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

MEP; Mixed methods; Molecular electrostatic potential; Molecular modelling; QM MM

Indexed keywords

ELECTROSTATICS; MOLECULES; QUANTUM THEORY;

LARGE SYSTEM; MIXED METHOD; MIXED QUANTUM MECHANICS; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR MODELING STUDIES; QUANTUM MECHANICS/MOLECULAR MECHANICS;

MOLECULAR MODELING;

ACCURACY; ALGORITHM; ARTICLE; CALCULATION; CONTROLLED STUDY; ELECTRIC POTENTIAL; METHODOLOGY; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTUM MECHANICS;

EID: 0343092051     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008111820916     Document Type: Article

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