List of QCEXVAL publications in 2011
- “Essential on the Photophysics and Photochemistry of the lndole Chromophore by Using a Totally Unconstrained Theoretical Approach”
A. Giussani, M. Merch�n, D. Roca-Sanju�n, and R. Lindh
Journal of Chemical Theory and Computation, 7, 4088-4096 (2011) - “Two- and three-state conical intersections in the electron capture dissociation of disulfides: The importance of multireference calculations”
J. A. G�mez, L. Serrano-Andr�s, and M. Y��ez
International Journal of Quantum Chemistry, 111, 3416-3323 (2011) - “On the role of the triplet state in the cis/trans isomerization of rhodopsin: A CASPT2//CASSCF study of a model chromophore”
R. Gonz�lez-Luque, G. Olaso-Gonz�lez, M. Merch�n, P. B. Coto, L. Serrano-Andr�s, and M. Garavelli
International Journal of Quantum Chemistry, 111, 3431-3437 (2011) - “On the Relaxation Mechanisms of 6-Azauracil”
J. P. Gobbo, A. C. Borin, and L. Serrano-Andr�s
The Journal of Physical Chemistry, 115, 6243-6251 (2011) - “Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study”
V. Sauri, L. Serrano-Andr�s, A. R. M. Shahi, L. Gagliardi, S. Vancoille, and K. Pierloot
Journal of Chemical Theory and Computation, 7, 153-168 (2011) - “On the Photoproduction of DNA/RNA Cyclobutane Pyrimidine Dimers”
I. Gonz�lez-Ram�rez, D. Roca-Sanju�n, T. Climent, J. J. Serrano-P�rez, M. Merch�n, and L. Serrano-Andr�s
Theoretical Chemistry Accounts, 128, 705-711 (2011) - “A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene”
T. G. Schmalz, L. Serrano-Andr�s, V. Sauri, M. Merch�n, and J. M. Oliva
The Journal of Chemical Physics, 135, 194103 (2011) - “Intramolecular charge transfer and dual fluorescence of 4-(dimethylamino)benzonitrile: ultrafast branching followed by a two-fold decay mechanism”
P. B. Coto, L. Serrano-Andr�s, T. Gustavsson, T. Fujiwara, and E. C. Lim
Physical Chemistry Chemical Physics, 13, 15182-15188 (2011) - “Organic Spectroscopy Under Bj�rn O. Roos”
L. Serrano-Andr�s
International Journal of Quantum Chemistry, 111, 3284-3290 (2011) - “In Remembrance of Dr. Luis Serrano-Andr�s”
M. Merch�n
International Journal of Quantum Chemistry, 111, 3261-3262 (2011) - “Molecular Basis of the Phototherapy of Furocoumarins: A Theoretical Study”.
L. Serrano-Andr�s and J. J. Serrano-P�rez.
In: “Psoriasis: Causes, Diagnosis and Treatment”.
Ed. J. A. Carrasco. Nova Science Publishers (2011), pp. 1-61 - “Recent Trends in Computational Photochemistry”.
L. Serrano-Andr�s, D. Roca-Sanju�n, and G. Olaso-Gonz�lez,
In: “Photochemistry”. Series: Specialist Periodical Reports, Vol. 38, pp. 10-36,
Ed. A. Albini, Royal Society, London (2011)