Multicoefficient Gaussian-3 Calculation of the Rate Constant for the OH + CH4 Reaction and Its 12C/13C Kinetic Isotope Effect with Emphasis on the Effects of Coordinate System and Torsional Treatment

Benjamin A. Ellingson, Jingzhi Pu, Hai Lin, Yan Zhao, Donald G. Truhlar

The Journal of Physical Chemistry A 111 (45), 11706-11717 · 2007