화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.108, No.41, 8752-8758, 2004
A full dimensional quasiclassical trajectory study of Cl+CH4 rate coefficients
The Cl + CH4 reaction has been investigated using a full dimensional quasiclassical trajectory technique and a new potential energy surface. The new surface is generated by expanding the interaction in terms of minimum energy paths in the Bond Order space. Results are compared with those obtained on another recently proposed potential energy surface and with experimental data.