Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations - Archive ouverte HAL
Article Dans Une Revue Journal of Chemical Information and Modeling Année : 2021

Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

Sachini Kadaoluwa Pathirannahalage
  • Fonction : Auteur
Laboratoire de Chimie - UMR5182
Royal Melbourne Institute of Technology University
Nastaran Meftahi
Aaron Elbourne
Alessia Weiss
Chris Mcconville
Agílio Pádua
Laboratoire de Chimie - UMR5182
David Winkler
Margarida Costa Gomes
Laboratoire de Chimie - UMR5182
Tamar Greaves
Royal Melbourne Institute of Technology University
Tu Le
Quinn Besford
Andrew Christofferson
Royal Melbourne Institute of Technology University

Domaines

Chimie théorique et/ou physique Génie chimique Chimie-Physique [physics.chem-ph]

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https://hal.science/hal-03365766

Soumis le : mardi 5 octobre 2021-13:31:49

Dernière modification le : mardi 12 novembre 2024-15:20:05

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Dates et versions

hal-03365766 , version 1 (05-10-2021)

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Citer

Sachini Kadaoluwa Pathirannahalage, Nastaran Meftahi, Aaron Elbourne, Alessia Weiss, Chris Mcconville, et al.. Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations. Journal of Chemical Information and Modeling, 2021, 61 (9), pp.4521-4536. ⟨10.1021/acs.jcim.1c00794⟩. ⟨hal-03365766⟩

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