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Journal of Physical Chemistry A, Vol.109, No.36, 8071-8073, 2005
On the accuracy of an analytical potential energy surface for the CH4+Clreaction and the quasi-classical trajectory calculations for thermal rate constants
The CH4 + Cl reaction was studied by means of quasi-classical trajectory calculations using an analytical potential energy surface previously developed by Truhlar and two of the present authors. Our conclusion is that this analytical potential energy surface is accurate, and previous studies that questioned its quality were biased by the neglect of quantum effects.