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Farmàcia, Tecnologia Farmacèutica i Fisicoquímica
Articles publicats en revistes (Farmàcia, Tecnologia Farmacèutica i Fisicoquímica)
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Issue Date
Title
Author(s)
10-Nov-2015
Electronic Couplings for Resonance Energy Transfer from CCSD Calculations: From Isolated to Solvated Systems
Caricato, Marco; Curutchet Barat, Carles E.; Mennucci, Benedetta; Scalmani, Giovanni
2-Sep-2015
Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-Methyltransferase HhaI Complexes
Corbella Morató, Marina; Voityuk, Alexander A.; Curutchet Barat, Carles E.
20-Feb-2015
Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum
Li, Quansong; Mennucci, Benedetta; Robb, Michael A.; Blancafort, Lluís; Curutchet Barat, Carles E.
13-Oct-2015
Chromophore-Protein Coupling beyond Nonpolarizable Models: Understanding Absorption in Green Fluorescent Protein
Daday, Csaba; Curutchet Barat, Carles E.; Sinicropi, Adalgisa; Mennucci, Benedetta; Filippi, Claudia
8-Dec-2015
Theoretical characterization of the spectral density of the water-soluble chlorophyll-binding protein from combined quantum mechanics/molecular mechanics molecular dynamics simulations
Rosnik, Andreana M. R; Curutchet Barat, Carles E.
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Author
3
Mennucci, Benedetta
1
Blancafort, Lluís
1
Caricato, Marco
1
Corbella Morató, Marina
1
Daday, Csaba
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Subject
3
Complexitat computacional
3
Computational complexity
3
Quantum chemistry
3
Química quàntica
2
Energy transfer
.
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