Open AccessBond Order Conservation Strategies in Catalysis Applied to the NH3 Decomposition Reaction
Author(s) -
Liang Yu,
Frank AbildPedersen
Publication year - 2016
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.6b03129
Subject(s) - density functional theory , chemistry , transition state theory , scaling , transition state , statistical physics , transition metal , decomposition , catalysis , basis set , linear scale , computational chemistry , chemical physics , bond order , thermodynamics , molecule , physics , quantum mechanics , bond length , reaction rate constant , mathematics , kinetics , organic chemistry , geometry , geodesy , geography
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