Fast filter by year:

More filters

Results: 93

Cristina Butchosa, Sílvia Simon, Lluís Blancafort, Alexander A. Voityuk
MS-CASPT2 Study of Hole Transfer in GuanineIndole Complexes Using the Generalized MullikenHush Method: Effective Two-State Treatment
J. Phys. Chem. B, 2012, 116, 7815-7820
DOI: 10.1021/jp303675h

Quansong Li, Annapaola Migani, Lluís Blancafort
Wave Packet Dynamics at an Extended Seam of Conical Intersection: Mechanism of the Light-Induced Wolff Rearrangement
J. Phys. Chem. Lett., 2012, 3, 1056-1061
DOI: 10.1021/jz300235z

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


1 2 3 4 5 6 7 8 9 10


Author search:
You can use AND or OR (case sensitive), but not mixed.
Example: (author1 AND author2 AND authorN) or (author1 OR author2 OR authorN).

Search on publication title:



Newer than (year included):

Older than (year included):