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Results: 88

Benjamin Lasorne, Fabrizio Sicilia, Michael J. Bearpark, Michael A. Robb, Graham A. Worth, Lluís Blancafort
Automatic generation of active coordinates for quantum dynamics calculations: Application to the dynamics of benzene photochemistry
J. Chem. Phys., 2008, 128, 124307
DOI: 10.1063/1.2839607

Fabrizio Sicilia, Lluís Blancafort, Michael J. Bearpark, Michael A. Robb
New Algorithms for Optimizing and Linking Conical Intersection Points
J. Chem. Theory Comput., 2008, 4, 257-266
DOI: 10.1021/ct7002435

Verónica Leyva, Inés Corral, Thomas Schmierer, Björn Heinz, Ferran Feixas, Annapaola Migani, Lluís Blancafort, Peter Gilch, Leticia González
Electronic States ofo -Nitrobenzaldehyde: A Combined Experimental and Theoretical Study
J. Phys. Chem. A, 2008, 112, 5046-5053
DOI: 10.1021/jp711949j

Lluís Blancafort
Energetics of Cytosine Singlet Excited-State Decay Paths-A Difficult Case for CASSCF and CASPT2
[], 2007, 83, 603-610
DOI: 10.1562/2006-05-29-RA-903

Lluís Blancafort, Annapaola Migani
Modeling Thymine Photodimerizations in DNA: Mechanism and Correlation Diagrams
J. Am. Chem. Soc., 2007, 129, 14540-14541
DOI: 10.1021/ja074734o

Fabrizio Sicilia, Lluís Blancafort, Michael J. Bearpark, Michael A. Robb
Quadratic Description of Conical Intersections: Characterization of Critical Points on the Extended Seam
J. Phys. Chem. A, 2007, 111, 2182-2192
DOI: 10.1021/jp067614w

Lluís Blancafort, Alexander A. Voityuk
MS-CASPT2 Calculation of Excess Electron Transfer in Stacked DNA Nucleobases
J. Phys. Chem. A, 2007, 111, 4714-4719
DOI: 10.1021/jp067886z

Lluís Blancafort, Annapaola Migani
Water effect on the excited-state decay paths of singlet excited cytosine
Journal of Photochemistry and Photobiology A: Chemistry, 2007, 190, 283-289
DOI: 10.1016/j.jphotochem.2007.04.015

Fabrizio Sicilia, Michael J. Bearpark, Lluís Blancafort, Michael A. Robb
An analytical second-order description of the S 0 /S 1 intersection seam: fulvene revisited
Theor Chem Account, 2007, 118, 241-251
DOI: 10.1007/s00214-007-0320-8

Lluís Blancafort
Excited-State Potential Energy Surface for the Photophysics of Adenine
J. Am. Chem. Soc., 2006, 128, 210-219
DOI: 10.1021/ja054998f

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