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3rd IQTCUB Symposium


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Programa de la 3a Jornada IQTCUB, 23 de novembre de 2012, Facultat de Química, Universitat de Barcelona.

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3rd IQTCUB Symposium

  1. 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 Barcelona9:30 – 9:40 Opening Welcome9:40 – 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 Aqueous10:50 – 11:15 Proline-Catalyzed Aldol Reactions” Jordi Ribas (IQTCUB, Universitat de Barcelona) “Controlling the photophysics of fulvene with the non-resonant Stark11:15 – 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 the12:20 – 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 charged13:00 – 13:25 colloids” Sergio Madurga (IQTCUB, Universitat de Barcelona)13:25 – 13:30 Closing F. Illas13:30 – open Lunch & Poster Session