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    • polarizable
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    3 results in polarizable in Keywords: polarizable

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A fast polarizable water model for atomistic simulations.

    , Authors: Yeyue Xiong, Saeed Izadi, Alexey Onufriev
    Version 1 posted 11 March 2022
    759
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Constant-pH Simulations with the Polarizable Atomic Multipole AMOEBA Force Field

    , Authors: Andrew Thiel, Matthew Speranza, Sanika Jadhav, Lewis Stevens, Daniel Unruh, Pengyu Ren, Jay Ponder, Jana Shen, Michael Schnieders
    Version 1 posted 18 October 2023
    343
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Polarizable force field for acetonitrile based on the single-center multipole expansion

    , Authors: Hemanadhan Myneni, Elvar Örn Jónsson, Hannes Jónsson, Asmus Ougaard Dohn
    Version 3 posted 28 October 2022
    596
    Downloads
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