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Adsorbate Free Energies from DFT-Derived Translational Ener..:

Craig Waitt (3239976) ; Audrey R. Miles (11413358) ; William F. Schneider (1487236)
https://figshare.com/articles/journal_contribution/Adsorbate_Free_Energies_from_DFT-Derived_Translational_Energy_Landscapes/16595315. , 2021

Link: https://doi.org/10.1021/acs.jpcc.1c05917.s001

RT Journal
T1 <Title>Adsorbate Free Energies from DFT-Derived Translational Energy Landscapes</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16595315&Exemplar=1&LAN=DE
				
A1 Craig Waitt (3239976)
A1 Audrey R. Miles (11413358)
A1 William F. Schneider (1487236)
YR 2021
K1 Biophysics
K1 Ecology
K1 Cancer
K1 Hematology
K1 Chemical Sciences not elsewhere classified
K1 Physical Sciences not elsewhere classified
K1 density functional theory
K1 computed free energies
K1 adsorbate rastering across
K1 adsorbate free energies
K1 additional computational cost
K1 resultant translational densities
K1 assumed analytical form
K1 thermodynamic functions derived
K1 standard models combine
K1 analytical models
K1 analytical expression
K1 x </
K1 translational pes
K1 surface chemistry
K1 sub ><
K1 potentially significant
K1 often parametrized
K1 numerical evaluations
K1 microkinetic models
K1 commonly parametrized
K1 au facets
JF https://figshare.com/articles/journal_contribution/Adsorbate_Free_Energies_from_DFT-Derived_Translational_Energy_Landscapes/16595315
LK http://dx.doi.org/https://doi.org/10.1021/acs.jpcc.1c05917.s001
DO https://doi.org/10.1021/acs.jpcc.1c05917.s001
SF ELIB - SuUB Bremen

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