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A molecular density functional theory approach to electron transfer reactions

descriptionPublicationkeyboard_double_arrow_right Article , Preprint , Other literature type 01 Jan 2019Embargo end date: 01 Jan 2018 France English Publisher:Royal Society of Chemistry (RSC)Journal:Chemical Science, volume 10, pages 2,130-2,143 (issn: 2041-6520, eissn: 2041-6539, Copyright policy )Funded by:EC | AMPERE, EC | EoCoE, ANR | LENNS
Authors: Jeanmairet, Guillaume; Rotenberg, Benjamin; Levesque, Maximilien; Borgis, Daniel; Salanne, Mathieu;

doi: 10.1039/c8sc04512g , 10.48550/arxiv.1810.02168

pmid: 30881637

pmc: PMC6385486

arXiv: 1810.02168

A molecular density functional theory approach to electron transfer reactions

Abstract

Molecular density functional theory, an efficient computational tool, provides new insights into the study of electron transfer reactions in bulk and interfacial water.

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Keywords

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Chemical Physics (physics.chem-ph), [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, Chemistry, Physics - Chemical Physics, FOS: Physical sciences, 540, 530

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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).
    		 26
    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).
    		 Top 10%
    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!
26
Top 10%
Top 10%
Top 10%
Green
gold
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INRIA
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University Network for Innovation, Technology and Engineering