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1 Ergebnisse
1
Predicting Ion Diffusion from the Shape of Potential Energy..:
Hannes Gustafsson
;
Melania Kozdra
;
Berend Smit
..
doi:10.1021/acs.jctc.3c01005.s002. , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c01005.s002
RT Journal T1
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
UL https://suche.suub.uni-bremen.de/peid=base-ftdeakinunifig:oai:figshare.com:article_24871604&Exemplar=1&LAN=DE A1 Hannes Gustafsson A1 Melania Kozdra A1 Berend Smit A1 Senja Barthel A1 Amber Mace YR 2023 K1 Biophysics K1 Biochemistry K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 strong interactions directly K1 potential energy landscapes K1 potential energy field K1 molecular dynamics simulations K1 diffusion prediction even K1 compute diffusion coefficients K1 efficient screening studies K1 crystalline inorganic solids K1 density functional level K1 predicting ion diffusion K1 ion diffusion K1 efficient method K1 crystalline solid K1 workflow make K1 several orders K1 predicting li K1 multiparticle systems K1 migrating particles JF doi:10.1021/acs.jctc.3c01005.s002 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c01005.s002 DO https://doi.org/10.1021/acs.jctc.3c01005.s002 SF ELIB - SuUB Bremen
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