In this research project we will try to get a deeper insight in the understanding of the main factors that govern the proton and hydrogen transfer reactions, the general objective being two-fold: The development of new theoretical methods and the theoretical treatment of real chemical problems based on this kind of processes. Isotopic effects, tunnelling and hydrogen-bonds are some points that repeatedly appear along the project. The concrete objectives can be classified into five groups: 1) Development and application of the Unified Statistical model (both the Microcanonical and the Canonical Variational theories) to the calculation of rate constants of processes of chemical interest. 3) Study of the mechanism of some enzymatic reactions that work trough proton transfers and the importance of the hidrogen-bonds. 4) Study of the excited state intramlecular proton transfers in aromatic mo
|Effective start/end date||1/11/96 → 1/11/99|
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