spanish  english

Introduction


Chemical reactions generally take place through short range (often subnanometric) interactions. This is the Chemical dynamics territory, our working field. Until recently we have mainly studied tri- or tetra-atomic systems playing on a single potential energy surface but in the last few years we are also devoted to larger systems, even biological systems, and non adiabatic or multisurface processes. Our computational tools are based, as the nuclear dynamics concerns, on quasiclassical and quantum (time-dependent and time-independent as well) methodologies while the ab initio electronic structure calculations include as much electronic correlation as possible. Summarizing our work essentially aims at taking account of experimental results be it to rationalize previously published findings or to foresee new ones.