Aims : General problems concerning molecular dynamics and quantum approach of reactivity.Objectives : Approach of a chemical process, using theories of chemical reactivity and molecular dynamics.
Description : The motion in a central force field. General parameters of a molecular collision. Effective cross section of reaction. The calculation quasi-classic of the trajectory and of the cross section of reaction. Evolution equations. Schrodinger description. Heisenberg description. Qualitative theories of chemical reactivity. Quantum calculation of reaction capacity.
Assessment : written examination
