Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 25(18), p. 16659-16670, 2016
DOI: 10.1039/c6cp02765b
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Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation
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Abstract
We show that rate constants for dissociation of fluoroform computed by VTST/SS-QRRK agree excellently with definitive experimental data over a wide pressure and temperature range.