Open AccessPotential Energy Weighted Reactive Flux and Total Rate of Change of Potential Energy: Theory and Illustrative Applications
Author(s) -
Wenjin Li
Publication year - 2022
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/acs.jpca.2c04886
Subject(s) - flux (metallurgy) , chemistry , reaction coordinate , non equilibrium thermodynamics , energy flux , energy (signal processing) , transition state , potential energy , statistical physics , subspace topology , transition rate matrix , thermodynamics , physics , computational chemistry , atomic physics , quantum mechanics , mathematics , mathematical analysis , statistics , biochemistry , organic chemistry , catalysis
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