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Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112861
Abstract: Abstract The rate constant for the CF3O + NO reaction has been studied with the variable reaction coordinate transition-state theory and multichannel RRKM calculation based on the potential energy surface obtained by the G3B3//UB3LYP/6-311+G(3df) level of theory.…
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Keywords:
temperature;
theoretical study;
reaction;
rate constant ... See more keywords