A nemo potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability

Journal of Computational Chemistry

Volumn 31, Issue 8, 2010, Pages 1583-1591

  Holt, Asbjørn ^a   Boström, Jonas ^a   Karlström, Gunnar ^a   Lindh, Roland ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

Higher order polarization; Induction; Mp2 properties; Multicenter multipole expansion; NEMO; Polarizable force field; Polarization; Quadrupole polarizability

Indexed keywords

HIGHER ORDER; HIGHER-ORDER POLARIZATION; MULTIPOLE EXPANSIONS; POLARIZABILITIES; POLARIZABLE FORCE FIELD; QUADRUPOLES;

POLARIZATION;

FORMALDEHYDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; STATIC ELECTRICITY; THERMODYNAMICS;

COMPUTER SIMULATION; DIMERIZATION; FORMALDEHYDE; MODELS, CHEMICAL; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 77952344347     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21502     Document Type: Article

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