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IQTC Internal Seminar 21st July

This is an announcement for the last IQTC Internal Seminar before the summer break, which will take place on Friday 21st of July (i.e. next week) at 15:00 in Sala d’Actes of the Department of Materials Science and Physical Chemistry. The last speakers of the 2016/17 course, contributing with a 30min talk each, will be Lluís Raich and Dra Estefanía López. Please find the abstracts of the talks below.

Lluís Raich
Enzymes with Biotechnological Applications
Enzymes have attracted the attention of chemists and biologists since long ago due to their molecular complexity and tremendous efficiency. Whereas it is difficult to settle on how they work in general, with hot debates over many years, significant progress has been made in elucidating their catalytic mechanisms by means of experimental and computational approaches. In this talk we will show how molecular simulations are essential to understand the behavior of these unique catalysts, presenting as example an enzyme with biotechnological applications.
Supervisor: Carme Rovira


Dra Estefanía López
Experimental and Theoretical points of view of Li⁺+ i-C_3H_7Br gas-phase reaction
The study of gas-phase reactions plays an important role in the knowledge of many types of chemicalreactions that happen on our planet, and also in other bodies of the Solar System. In this work we present the results of the gas phase reaction between Li+cations and organic iso-bromopropane neutral molecules, comparing laboratory measurements with a quasi-classical trajectories study on an ab initio PES. The use of different approaches allows us to get more insight on the process under study.
Supervisor: Antonio Aguilar.