Luis Manuel Frutos
Affiliations: | Analytical Chemistry, Physical Chemistry and Chemical Engineering | Universidad de Alcalá de Henares |
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Publications
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| Fernández Galván I, Vacher M, Alavi A, et al. (2019) OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation |
| Valentini A, Rivero D, Zapata F, et al. (2017) Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model. Angewandte Chemie (International Ed. in English) |
| Manathunga M, Yang X, Luk HL, et al. (2015) Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores. Journal of Chemical Theory and Computation |
| Aquilante F, Autschbach J, Carlson RK, et al. (2015) Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. Journal of Computational Chemistry |
| Marchand G, Eng J, Schapiro I, et al. (2015) Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center. The Journal of Physical Chemistry Letters. 6: 599-604 |
| Marchand G, Eng J, Schapiro I, et al. (2015) Directionality of double-bond photoisomerization dynamics induced by a single stereogenic center Journal of Physical Chemistry Letters. 6: 599-604 |
| Gozem S, Melaccio F, Valentini A, et al. (2014) Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection. Journal of Chemical Theory and Computation. 10: 3074-84 |
| Gozem S, Melaccio F, Valentini A, et al. (2014) Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection Journal of Chemical Theory and Computation. 10: 3074-3084 |
| Schapiro I, Ryazantsev MN, Frutos LM, et al. (2011) The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects Journal of the American Chemical Society. 133: 3354-3364 |
| Melloni A, Rossi Paccani R, Donati D, et al. (2010) Modeling, preparation, and characterization of a dipole moment switch driven by Z/E photoisomerization. Journal of the American Chemical Society. 132: 9310-9 |