Open AccessOptimizing reaction coordinate by flux maximization in the transition path ensemble
Author(s) -
Wenjin Li
Publication year - 2022
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 - 10.1063/5.0079390
Subject(s) - reaction coordinate , curvilinear coordinates , transition state , dihedral angle , position (finance) , coordinate system , chemistry , physics , mathematics , computational chemistry , geometry , quantum mechanics , catalysis , biochemistry , hydrogen bond , finance , molecule , economics
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