"InfiniCharges: A tool for generating partial charges via the simultaneous ..."

Marco Sant et al. (2016)

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DOI: 10.1016/J.CPC.2015.10.005

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type: Journal Article

metadata version: 2020-02-21

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Marco Sant, Andrea Gabrieli, Pierfranco Demontis, Giuseppe B. Suffritti:
InfiniCharges: A tool for generating partial charges via the simultaneous fit of multiframe electrostatic potential (ESP) and total dipole fluctuations (TDF). Comput. Phys. Commun. 200: 190-198 (2016)

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