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Quantitative molecular simulations

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type , Preprint 01 Jan 2022Embargo end date: 01 Jan 2022 Switzerland, Switzerland English Publisher:Royal Society of Chemistry (RSC)Journal:Physical Chemistry Chemical Physics, volume 24, pages 12,767-12,786 (issn: 1463-9076, eissn: 1463-9084, Copyright policy )Funded by:EC | FP-RESOMUS
Authors: Kai Töpfer; Meenu Upadhyay; Markus Meuwly;

doi: 10.1039/d2cp01211a , 10.5451/unibas-ep88712 , 10.48550/arxiv.2203.06624

pmid: 35593769

pmc: PMC9158373

arXiv: 2203.06624

Quantitative molecular simulations

Abstract

All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes.

Countries
Switzerland, Switzerland
Related Organizations
Keywords

Chemical Physics (physics.chem-ph), Chemistry, Physics - Chemical Physics, FOS: Physical sciences, Molecular Dynamics Simulation

  • BIP!
    Impact byBIP!
    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).
    		 7
    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.
    		 Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Top 10%
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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!
7
Top 10%
Average
Top 10%
Green
hybrid