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Chemical Sciences Division
Singh, H. J.; Gour, N. K.; Rao, P. K.; Tiwari, L.|
Theoretical investigation on the kinetics and branching ratio of the gas phase reaction of sevoflurane with Cl atom
J. Mol. Model.
4815 - 4822
·Cl + CH2FOCH(CF3)2 → (CF3)2C(·)OCH2F + HCl
Transition state theory
Rate constant is pressure independent
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory with tunneling correction.
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