Sökning: "CASPT2"
Visar resultat 11 - 11 av 11 avhandlingar innehållade ordet CASPT2.
11. Atom-Diatom Scattering. From Potential Energy Surfaces to Rate Constants
Sammanfattning : This thesis is about the theoretical study of collisions between atoms and diatomic molecules. It might seem like a trivial problem, but in reality it is a highly complex process. Despite, or because of, their apparent simplicity, these processes are of importance for a broad area of science. LÄS MER