Program
OPENING SESSION
10:00 - 10:30 Mercedes Campillo
10:30 - 11:00 Vanessa Martins
11:00 - 11:30 Christophe Siquet
11:30 - 12:00 Ryusuke Futamura
12:00 - 12:30 Gyorgy Hantal
LUNCH BREAK
14:00 - 14:30 Carlos Rezende
14:30 - 15:00 Cátia Teixeira
15:00 - 15:30 Marta Batista
15:30 - 16:00 José Luís Fajín
16:00 - 16:30 Nuno Santos
16:30 - 17:00 Renjith Pillai
CLOSING SESSION
Other participants: Miguel Jorge, José R. B. Gomes, Eugénio Rocha
Presentations will be:
Campillo: Battery cathode materials
Martins: Grand Canonical Monte Carlo (GCMC) simulations of adsorption of p-xylene molecules in MFI and MIL-47
Siquet: Adsorption Isotherms of Carbon Dioxide and Methane in Periodic Mesoporous Organosilicas
Futamura: Computational Study for the Early Stages of the Synthesis Process of Periodic Mesoporous Organosilica
Hantal: Insight into the mysterious world of ionic liquids - seen from a theoretician's point of view
Rezende: Norfloxacin:the correlation between DFT calculations and Solid- State NMR
Teixeira: Molecular docking and 3D-QSAR analyses of peptidyl vinyl sulfones - Plasmodium Falciparum cysteine proteases inhibitors
Batista: Experimental and computational study on the liquid-liquid equilibrium of thiophene with ionic liquids
Fajín: Development of new descriptors for heterogeneous catalyzed reactions by DFT
Santos: Theoretical study of the mechanism of alkene aziridination catalyzed by immobilized CuBox complexes
Pillai: Molecular Modeling and Experimental Studies on Adsorption of Gases in Microporous Materials