|
|
In this research group we study a range of real chemical phenomenons
that may be explained in a comprehensive way only going beyond the
wave function and the electronic energy, that is, taking into account
the nuclear movements and, especially, the quantic effects associated
to the light nuclei. The main objective is double: the development of
new theorical methods and their application (together with the already
existing) to several chemical phenomenons which happen in molecular and
supramolecular systems.
The concrete objectives may be classified in five general groups:
- Study of the quantic effects in polihydride and dihydrogen
complexes of transition metals.
- Study of light-induced proton transfers.
- Atmospheric chemistry: study of the reactions of the OH radical;
application of the Transition State Variational Theory to the computation
of rate constants.
- Enzymatic Catalysis.
- Study of Organic Reaction Mechanisms.
For any question or suggestion send us a
|
|
|
