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ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
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32 Water molecule simulation

Research datakeyboard_double_arrow_right Dataset 29 May 2023Publisher:Zenodo
Authors: Boesen, Tue;

doi: 10.5281/zenodo.7981760 , 10.5281/zenodo.7981759

32 Water molecule simulation

Abstract

This is a microcanonical ensemble (NVE) simulation of 32 water molecules at a temperature of 300 K, approximated with the Lennard-Jones force-field, using cp2k. The physical simulation is done employing a step-size of 0.1 fs for 100,000 steps. The simulation is done without periodic spatial boundaries in order to have a system that fundamentally evolves over time.

Related Organizations
Keywords

molecular dynamics, water

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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