Open AccessUncertainty in master-equation-based rate coefficient calculations
Author(s) -
Morgan Mayer,
Judit Zádor,
Khachik Sargsyan
Publication year - 2018
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - Uncategorized
Resource type - Reports
DOI - 10.2172/1481641
Subject(s) - master equation , isomerization , dissociation (chemistry) , ab initio , python (programming language) , quantum tunnelling , chemistry , rate equation , reaction rate , thermodynamics , statistical physics , quantum , physics , kinetics , quantum mechanics , computer science , biochemistry , operating system , catalysis
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