Molecular topologies of molecules present in the vacuum/SDS/water system using different charge distribution types

Name: Molecular topologies of molecules present in the vacuum/SDS/water system using different charge distribution types
Creator: Jose Parra
Published: 2024-07-22T20:08:30.172Z
Keywords: Force Field, Molecular Dynamics of Condensed Phases, Equilibrium Interfacial Tension

Parra, Jose; Iza, Peter; dominguez, hector; Schott, Eduardo; Zarate, Ximena

doi:10.17632/83d5mzybp6.2

Molecular topologies of molecules present in the vacuum/SDS/water system using different charge distribution types

Published: 22 July 2024| Version 2 | DOI: 10.17632/83d5mzybp6.2

Contributors:

Jose Parra, Peter Iza, hector dominguez, Eduardo Schott, Ximena Zarate

Description

This data contained the bonded and non-bonded of the molecules used in MD simulations. Charge distributions used in the determination of the electrostatic contribution are shown in these topologies.

Molecular topologies of molecules present in the vacuum/SDS/water system using different charge distribution types

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