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1 Ergebnisse
1
Adsorbate Free Energies from DFT-Derived Translational Ener..:
Craig Waitt (3239976)
;
Audrey R. Miles (11413358)
;
William F. Schneider (1487236)
https://figshare.com/articles/dataset/Adsorbate_Free_Energies_from_DFT-Derived_Translational_Energy_Landscapes/16619527. , 2021
Link:
https://doi.org/10.1021/acs.jpcc.1c05917.s002
RT Journal T1
Adsorbate Free Energies from DFT-Derived Translational Energy Landscapes
UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16619527&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/dataset/Adsorbate_Free_Energies_from_DFT-Derived_Translational_Energy_Landscapes/16619527 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpcc.1c05917.s002 DO https://doi.org/10.1021/acs.jpcc.1c05917.s002 SF ELIB - SuUB Bremen
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