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2 results in Keywords: force-field

Theoretical and Computational Chemistry

Calculation of Absolute Molecular Entropies and Heat Capacities Made Simple

Philipp Pracht, Stefan Grimme

Version 1 posted 25 January 2021

1,192

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Theoretical and Computational Chemistry

A fast polarizable water model for atomistic simulations.

Yeyue Xiong, Saeed Izadi, Alexey Onufriev

Version 1 posted 11 March 2022

659

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