Grupo de Cinética y Dinámica de la Universidad de Extremadura

Grupo de Cinética y Dinámica de la Universidad de Extremadura Our main research area is in the field of the theoretical kinetics and dynamics, based on the knowle

Our main research area is in the field of the theoretical kinetics and dynamics, based on the knowledge of the potential energy surface (PES) describing gas phase polyatomic reactions. The potential energy surfaces play a central role in the complete description of a reactive system, and we build them as functional forms describing the stretching, bending and torsional modes, which evolve smoothly

from reactants to products. Based on these PESs, the kinetics information is obtained by using the variational transition-state theory (VTST) with inclusion of multidimensional tunneling effect, and the dynamics information is obtained by using quasi-classical trajectory (QCT) calculations. The areas of application include chemistry of combustion and atmospheric, and catalysis and biochemistry.

Dirección

Badajoz

Página web

Notificaciones

Sé el primero en enterarse y déjanos enviarle un correo electrónico cuando Grupo de Cinética y Dinámica de la Universidad de Extremadura publique noticias y promociones. Su dirección de correo electrónico no se utilizará para ningún otro fin, y puede darse de baja en cualquier momento.

Atajos

Compartir

Categoría