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Results: 91

Quansong Li, Annapaola Migani, Lluís Blancafort
Irreversible phototautomerization of o-phthalaldehyde through electronic relocation
Phys. Chem. Chem. Phys., 2012, 14, 6561-6568
DOI: 10.1039/c2cp40359e

Annapaola Migani, Verónica Leyva, Ferran Feixas, Thomas Schmierer, Peter Gilch, Inés Corral, Leticia González, Lluís Blancafort
Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde
Chem. Commun., 2011, 47, 6383-6385
DOI: 10.1039/c1cc11085c

Lluís Blancafort, Fabien Gatti, Hans-Dieter Meyer
Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy
J. Chem. Phys., 2011, 135, 134303
DOI: 10.1063/1.3643767

Piotr Storoniak, Janusz Rak, Katarzyna Polska, Lluís Blancafort
Local Excitation of the 5-Bromouracil Chromophore in DNA. Computational and UV Spectroscopic Studies
J. Phys. Chem. B, 2011, 115, 4532-4537
DOI: 10.1021/jp201028a

Verónica Leyva, Inés Corral, Ferran Feixas, Annapaola Migani, Lluís Blancafort, Jesús González-Vázquez, Leticia González
A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde
Phys. Chem. Chem. Phys., 2011, 13, 14685-14693
DOI: 10.1039/c1cp20620f

Quansong Li, David Mendive-Tapia, Martin J. Paterson, Annapaola Migani, Michael J. Bearpark, Michael A. Robb, Lluís Blancafort
A global picture of the S1/S0 conical intersection seam of benzene
Chemical Physics, 2010, 377, 60-65
DOI: 10.1016/j.chemphys.2010.08.016

David Asturiol, Benjamin Lasorne, Graham A. Worth, Michael A. Robb, Lluís Blancafort
Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations
Phys. Chem. Chem. Phys., 2010, 12, 4949-4958
DOI: 10.1039/c001556c

J. Oscar C. Jiménez-Halla, Eduard Matito, Lluís Blancafort, Juvencio Robles, Miquel Solà
Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts
J. Comput. Chem., 2009, 30, 2764-2776
DOI: 10.1002/jcc.21291

David Asturiol, Benjamin Lasorne, Michael A. Robb, Lluís Blancafort
Photophysics of the ,* and n,* States of Thymine: MS-CASPT2 Minimum-Energy Paths and CASSCF on-the-Fly Dynamics
J. Phys. Chem. A, 2009, 113, 10211-10218
DOI: 10.1021/jp905303g

Monika Kobyłecka, Annapaola Migani, David Asturiol, Janusz Rak, Lluís Blancafort
Benign Decay vs. Photolysis in the Photophysics and Photochemistry of 5-Bromouracil. A Computational Study
J. Phys. Chem. A, 2009, 113, 5489-5495
DOI: 10.1021/jp811330v