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May 14, 2024The Journal of Physical Chemistry A

Accurate Quantum Dynamics Calculations for the Cl + CH₄/CHD₃/CD₄ Reaction Rates

Hannes Hoppe Uwe Manthe

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Abstract

Full-dimensional quantum dynamics simulations of the reaction of Cl with methane and its isotopomers are reported. Thermal rate constants are computed for the Cl + CH

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Hoppe et al. (2024) studied this question.

synapsesocial.com/papers/68e6a3a7b6db643587626b0e https://doi.org/10.1021/acs.jpca.4c01952

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