Using multipole point charge distributions to provide the electrostatic potential in the variational explicit polarization (X-Pol) potential

Theoretical Chemistry Accounts

Volumn 129, Issue 1, 2011, Pages 3-13

  Leverentz, Hannah R ^a   Gao, Jiali ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

Atom based multipole moments; Explicit polarization (X Pol); Fragment based molecular orbital method; Polarizable force field

Indexed keywords

EID: 79954632428     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-0889-9     Document Type: Article

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