Open AccessDetermination of kinetic properties in unimolecular dissociation of complex systems from graph theory based analysis of an ensemble of reactive trajectories
Author(s) -
Ariel PérezMellor,
Riccardo Spezia
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 - 10.1063/5.0058382
Subject(s) - kinetic energy , fragmentation (computing) , graph , statistical physics , dissociation (chemistry) , ion , protonation , molecule , computer science , chemistry , reaction rate constant , computational chemistry , graph theory , biological system , chemical physics , kinetics , theoretical computer science , mathematics , physics , combinatorics , quantum mechanics , organic chemistry , biology , operating system
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