Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches

Journal of Chemical Theory and Computation

Volumn 11, Issue 8, 2015, Pages 3829-3843

  Gabrieli, Andrea ^a   Sant, Marco ^a   Demontis, Pierfranco ^a   Suffritti, Giuseppe B ^a  

^a UNIVERSITY OF SASSARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84939162852     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00503     Document Type: Article

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