Public Library of Science
Browse

Flowchart: The process of building a polarizable Drude water model.

Download (613.18 kB)
figure
posted on 2019-11-14, 18:43 authored by Yeyue Xiong, Alexey V. Onufriev

Flowchart: The process of building a polarizable Drude water model.

History

Usage metrics

    PLOS ONE

    Categories

    Keywords

    point water models4- point polarizable modelswater dimeraccuracy water modelreference multipole moments3- point polarizable model out-performscharge distributionab initio referencefuture development effortsaccuracy improvementsExploring optimization strategiespoint water modelRigid n-point model

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC