화학공학소재연구정보센터
Journal of Physical Chemistry, Vol.99, No.42, 15378-15386, 1995
Semiclassical Formulation of Molecule Surface Scattering Using an Embedded Diatomics in Molecules Potential
The embedded diatomics in molecules method for obtaining the potential. energy surface for molecule surface reactions has been introduced in a semiclassical treatment of the dynamics. This treatment includes phonon as well as electron-hole pair excitation.