Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models

Journal of Computational Chemistry

Volumn 28, Issue 6, 2007, Pages 1083-1090

  Soderhjelm P ^a   Krogh, J W ^a   Karlstrom G ^a   Ryde, U ^a   Lindh, R ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

MOLCAS; Multipole moments; Polarizabilities

Indexed keywords

AMINO ACIDS; COMPUTATIONAL METHODS; ELECTRIC FIELDS; ELECTROSTATICS; ERROR ANALYSIS; MATHEMATICAL MODELS; SET THEORY;

ELEMENTARY CHARGE; MULTIPOLE MOMENTS; POLARIZABILITIES;

MOLECULAR POLARITY;

EID: 34047169249     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20632     Document Type: Article

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