Convocatoria área biológica y biomédica (08.01.13) - Universidad Técnica Part...
3rd IQTCUB Symposium
1. III Jornada IQTCUB
3rd IQTCUB Symposium
Institut de Química Teòrica i Computacional de la UB
23 de Novembre de 2012, Aula Enric Casassas,
Facultat de Química, Universitat de Barcelona
9:30 – 9:40 Opening
Welcome
9:40 – 9:50
Francesc Illas, Director of IQTCUB
“111+1 anys de quants”
9:50 – 10:50
Ignasi Nebot (Universitat de València)
“Unraveling the Role of Water in the Stereoselective Step of Aqueous
10:50 – 11:15 Proline-Catalyzed Aldol Reactions”
Jordi Ribas (IQTCUB, Universitat de Barcelona)
“Controlling the photophysics of fulvene with the non-resonant Stark
11:15 – 11:40 effect”
Lluís Blancafort (Universitat de Girona)
11:40 – 12:20 Coffee Break & Poster Session
“Study of the Ground State Structure, and Simulation of the
12:20 – 12:45 Absorption Spectrum of the LSSmKate2 Red Fluorescent Protein”
Ricard Gelabert (Universitat Autònoma de Barcelona)
“Una perspectiva computacional al magnetismo molecular”
12:45 – 13:00
Daniel Aravena (IQTCUB, Universitat de Barcelona)
“Monte Carlo and molecular dynamics simulations of charged
13:00 – 13:25 colloids”
Sergio Madurga (IQTCUB, Universitat de Barcelona)
13:25 – 13:30 Closing F. Illas
13:30 – open Lunch & Poster Session