Javier
Segarra Martí
Publicacións nas que colabora con Javier Segarra Martí (4)
2020
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First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases
Physical Chemistry Chemical Physics, Vol. 22, Núm. 27, pp. 15496-15508
2018
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Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy
Journal of Chemical Theory and Computation, Vol. 14, Núm. 5, pp. 2570-2585
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The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone
Photochemical and Photobiological Sciences, Vol. 17, Núm. 3, pp. 323-331
2016
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541