Publication:

Earth Mover's Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality

Date

2024
Journal article
https://doi.org/10.1021/acs.jctc.3c01148
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dc.contributor.authorFraiponts, Mathias
dc.contributor.authorMaes, Wouter
dc.contributor.authorChampagne, Benoit
dc.contributor.imecauthorFraiponts, Mathias
dc.contributor.imecauthorMaes, Wouter
dc.contributor.orcidimecMaes, Wouter::0000-0001-7883-3393
dc.date.accessioned2024-05-30T13:03:14Z
dc.date.available2024-03-29T18:12:35Z
dc.date.available2024-05-30T13:03:14Z
dc.date.issued2024
dc.description.wosFundingTextThis work has been realized through the support of the University of Namur and the Special Research Fund of Hasselt University(BOF20DOCNA01). W. Maes thanks the Research Foundation Flanders(FWO Vlaanderen) for financial support (projects G0D1521N and W000620N).The calculations were performed on the computers of the Consortium des Equipements de Calcul Intensif (CECI, http://www.ceci-hpc.be)and particularly those of the Technological Platform of High-Performance Computing, for which the authors gratefully acknowledge the financial support of the FNRS-FRFC, of the Walloon Region, and of the University of Namur(Conventions No. 2.5020.11, U.G006.15, U.G018.19, U.G011.22, RW1610468, and RW/GEQ2016).
dc.identifier.doi10.1021/acs.jctc.3c01148
dc.identifier.issn1549-9618
dc.identifier.pmidMEDLINE:38407044
dc.identifier.urihttps://imec-publications.be/handle/20.500.12860/43749
dc.publisherAMER CHEMICAL SOC
dc.source.beginpage2751
dc.source.endpage2760
dc.source.issue7
dc.source.journalJOURNAL OF CHEMICAL THEORY AND COMPUTATION
dc.source.numberofpages10
dc.source.volume2023
dc.subject.keywordsACTIVATED DELAYED FLUORESCENCE
dc.subject.keywordsPARTICLE
dc.title

Earth Mover's Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality

dc.typeJournal article
dspace.entity.typePublication
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