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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

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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