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Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm
Author(s) -
Daniel P. Zaleski,
Raghu Sivaramakrishnan,
Hailey R. Weller,
Nathan A. Seifert,
David H. Bross,
Branko Ruščić,
Kevin B. Moore,
Sarah N. Elliott,
Andreas V. Copan,
Lawrence B. Harding,
Stephen J. Klippenstein,
Robert W. Field,
Kirill Prozument
Publication year - 2021
Publication title -
journal of the american chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.115
H-Index - 612
eISSN - 1520-5126
pISSN - 0002-7863
DOI - 10.1021/jacs.0c11677
Subject(s) - chemistry , propyne , transition state theory , ketene , computational chemistry , thermochemistry , reaction rate constant , ab initio , propene , transition state , kinetic isotope effect , acetone , thermodynamics , organic chemistry , photochemistry , kinetics , deuterium , physics , quantum mechanics , catalysis

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