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Physical Chemistry

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Theoretical and Computational Chemistry

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Keywords

multipole moments

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4 results in Keywords: multipole moments

Theoretical and Computational Chemistry

Application of the FFLUX Force Field to Molecular Crystals: A Study of Formamide

Matt Brown, Jonathan Skelton, Paul Popelier

Version 1 posted 13 June 2023

175

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Theoretical and Computational Chemistry

DL_FFLUX: a parallel, quantum chemical topology force field

Ben Symons, Michael Bane, Paul Popelier

Version 1 posted 22 June 2021

280

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Theoretical and Computational Chemistry

Application of quantum chemical topology force field FFLUX to condensed matter simulations: liquid water

Paul Popelier, Ben Symons

Version 1 posted 06 April 2022

245

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Theoretical and Computational Chemistry

The FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics

Zak E. Hughes, emmanuel ren, Joseph C. R. Thacker, benjamin symons, arnaldo silva, Paul Popelier

Version 1 posted 18 June 2019

474

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