Open AccessMachine learning to accelerate screening for Marcus reorganization energies
Author(s) -
Omri Abarbanel,
Geoffrey Hutchison
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0059682
Subject(s) - intramolecular force , marcus theory , charge (physics) , density functional theory , work (physics) , mean squared error , computer science , transistor , materials science , chemical physics , chemistry , computational chemistry , physics , voltage , thermodynamics , mathematics , stereochemistry , statistics , quantum mechanics , kinetics , reaction rate constant
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