List of QCEXVAL publications in 2009
- “Are the Five Natural DNA/RNA Base Monomers a Good Choice from Natural Selection? A Photochemical Perspective”.
L. Serrano-Andrés and M. Merchán
Journal of Photochemistry and Photobiology C: Photochemistry Reviews, 10, 21-32 (2009) - “The Role of Adenine Excimers in the Photophysics of Oligonucleotides”.
G. Olaso-González, M. Merchán, and L. Serrano-Andrés
Journal of the American Chemical Society, 131, 4368-4677 (2009) - “Electrostatic Control of the Photoisomerization Efficiency and Optical Properties in Visual Pigments: on the Role of Counterion Quenching”.
G. Tomasello, G. Olaso-González, P. Altoè, M. Stenta, L. Serrano-Andrés, M. Merchán, G. Orlandi, A. Bottoni, and M. Garavelli
Journal of the American Chemical Society, 131, 5172-5186 (2009) - “Determination of the Electron-Detachment Energies of 2′-Deoxyguanosine 5′-Monophosphate Anion: Influence of the Conformation”.
M. Rubio, D. Roca-Sanjuán, L. Serrano-Andrés, and M. Merchán
The Journal of Physical Chemistry B, 113, 2451-2457 (2009) - “The Role of Pyrimidine Nucleobases Excimers in DNA Photoreactivity”.
I. González-Ramírez, T. Climent, J. J. Serrano-Pérez, R. González-Luque, M. Merchán, and L. Serrano-Andrés
Pure & Applied Chemistry, 81, 1695-1705 (2009) - “DNA Nucleobases Properties and Photoreactivity: Modeling Environmental Effects”.
D. Roca-Sanjuán, Gloria Olaso-González, M. Rubio, P. B. Coto, M. Merchán, N. Ferré, V. Ludwig, and L. Serrano-Andrés
Pure & Applied Chemistry, 81, 743-754 (2009) - “Design of Carborane Molecular Architectures with Electronic Strucuture Calculations: From Endohedral and Polyradical Systems to Multidimensional Networks”.
J. M. Oliva, D. Klein, P. v. R. Schleyer, and L. Serrano-Andrés,
Pure & Applied Chemistry, 81, 719-729 (2009) - “On the Electronic Structure of a Dianion, a Radical Anion, and a Neutral Biradical Carborane Dimer” .
J M. Oliva, L. Serrano-Andrés, Z. Havlas, and J. Michl,
Journal of Molecular Structrure, Theochem, 912, 13-20 (2009) - “Singlet Oxygen Generation in PUVA Therapy Studied using Electronic Structure Calculations”.
J. J. Serrano-Pérez, G. Olaso-González, M. Merchán, and L. Serrano-Andrés,
Chemical Physics, 360, 85-96 (2009) - “Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model”.
P. Altoè, T. Climent, G. De Fusco, M. Stenta, A. Botoni, L. Serrano-Andrés, M. Merchán, G. Orlandi, and M. Garavelli,
The Journal of Physical Chemistry B, 113, 15067-15073 (2009)
Article Selected as Journal Cover - “Do Fluorescence and Transient Absorption Probe the Same Intramolecular Charge Transfer State of 4-(Dimethylamino)benzonitrile?”.
T. Gustavsson, P. B. Coto, L. Serrano-Andrés, T. Fujiwara, and E. C. Lim,
Journal of Chemical Physics, 131, 031101 (2009)
Article Selected as Journal Cover - “Linear and Nonlinear Optical Properties of a Series of Ni-dithiolene Derivatives”.
L. Serrano-Andrés, A. Avramopoulos, J. Li, P. Labéguerie, D. Bégué, V. Kellö, and M. G. Papadopoulos,
Journal of Chemical Physics. 131, 134312 (2009) - “Towards Understanding the Photochemistry of Photoactive Yellow Protein: A CASPT2/CASSCF and Quantum Theory of Atoms in Molecules Combined Study of a Model Chromophore in vacuo”.
P. B. Coto, D. Roca-Sanjuán, L. Serrano-Andrés, A. M. Pendás. S. Martí, and J. Andrés,
Journal of Chemical Theory and Computation, 5, 3032-3038 (2009) - “Photophysics of 1-Aminonaphthalene: a Theoretical and Time-Resolved Experimental Study”.
R. Montero, A. Longarte, Á. Peralta-Conde, F. Castaño, I. González-Ramírez, A. Giussani, L. Serrano-Andrés, and M. Merchán,
Journal of Physical Chemistry A, 113, 13509-13518 (2009) - “Design of Carborane Molecular Architectures with Electronic Structure Calculations”.
J. M. Oliva, L. Serrano-Andrés, D. J. Klein, P. v. R. Schleyer, and J. Michl,
International Journal of Photoenergy, 2009, 292393 (2009)