2009.html

"2009"

L. Serrano-Andrés and M. Merchán
"Are the Five Natural DNA/RNA Base Monomers a Good Choice from Natural Selection? A Photochemical Perspective".
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C: PHOTOCHEMISTRY REVIEWS (2009), 10, 21-32

G. Olaso-González, M. Merchán, and L. Serrano-Andrés
"The Role of Adenine Excimers in the Photophysics of Oligonucleotides".
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009), 131, 4368-4677

G. Tomasello, G. Olaso-González, P. Altoè, M. Stenta, L. Serrano-Andrés, M. Merchán, G. Orlandi, A. Bottoni, and M. Garavelli
"Electrostatic Control of the Photoisomerization Efficiency and Optical Properties in Visual Pigments: on the Role of Counterion Quenching".
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009), 131, 5172-5186

M. Rubio, D. Roca-Sanjuán, L. Serrano-Andrés, and M. Merchán
"Determination of the Electron-Detachment Energies of 2'-Deoxyguanosine 5'-Monophosphate Anion: Influence of the Conformation".
THE JOURNAL OF PHYSICAL CHEMISTRY B (2009), 113, 2451-2457

I. González-Ramírez, T. Climent, J. J. Serrano-Pérez, R. González-Luque, M. Merchán, and L. Serrano-Andrés
"The Role of Pyrimidine Nucleobases Excimers in DNA Photoreactivity".
PURE & APPLIED CHEMISTRY (2009), 81, 1695-1705

D. Roca-Sanjuán, Gloria Olaso-González, M. Rubio, P. B. Coto, M. Merchán, N. Ferré, V. Ludwig, and L. Serrano-Andrés
"DNA Nucleobases Properties and Photoreactivity: Modeling Environmental Effects".
PURE & APPLIED CHEMISTRY (2009), 81, 743-754

J. M. Oliva, D. Klein, P. v. R. Schleyer, and L. Serrano-Andrés,
"Design of Carborane Molecular Architectures with Electronic Strucuture Calculations: From Endohedral and Polyradical Systems to Multidimensional Networks".
PURE & APPLIED CHEMISTRY (2009), 81, 719-729

J. M. Oliva, L. Serrano-Andrés, Z. Havlas, and J. Michl,
"On the Electronic Structure of a Dianion, a Radical Anion, and a Neutral Biradical Carborane Dimer" .
JOURNAL OF MOLECULAR STRUCTRURE, THEOCHEM (2009), 912, 13-20

J. J. Serrano-Pérez, G. Olaso-González, M. Merchán, and L. Serrano-Andrés,
"Singlet Oxygen Generation in PUVA Therapy Studied using Electronic Structure Calculations".
CHEMICAL PHYSICS (2009), 360, 85-96

P. Altoé, T. Climent, G. De Fusco, M. Stenta, A. Botoni, L. Serrano-Andrés, M. Merchán, G. Orlandi, and M. Garavelli,
"Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model".
THE JOURNAL OF PHYSICAL CHEMISTRY B, (2009) 113, 15067-15073
Article Selected as Journal Cover

T. Gustavsson, P. B. Coto, L. Serrano-Andrés, T. Fujiwara, and E. C. Lim,
"Do Fluorescence and Transient Absorption Probe the Same Intramolecular Charge Transfer State of 4-(Dimethylamino)benzonitrile?".
JOURNAL OF CHEMICAL PHYSICS (2009), 131, 031101
Article Selected as Journal Cover

L. Serrano-Andrés, A. Avramopoulos, J. Li, P. Labéguerie, D. Bégué, V. Kellö, and M. G. Papadopoulos,
"Linear and Nonlinear Optical Properties of a Series of Ni-dithiolene Derivatives".
JOURNAL OF CHEMICAL PHYSICS (2009) 131, 134312

P. B. Coto, D. Roca-Sanjuán, L. Serrano-Andrés, A. M. Pendás. S. Martí, and J. Andrés,
"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".
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009) 5, 3032-3038

R. Montero, A. Longarte, á. Peralta-Conde, F. Castaño, I. González-Ramírez, A. Giussani, L. Serrano-Andrés, and M. Merchán,
"Photophysics of 1-Aminonaphthalene: a Theoretical and Time-Resolved Experimental Study".
JOURNAL OF PHYSICAL CHEMISTRY A (2009), 113, 13509-13518

J. M. Oliva, L. Serrano-Andrés, D. J. Klein, P. v. R. Schleyer, and J. Michl,
"Design of Carborane Molecular Architectures with Electronic Structure Calculations".
INTERNATIONAL JOURNAL OF PHOTOENERGY (2009), 2009, 292393

I. García-Cuesta, J. Sánchez-Marín, A.M.J. Sánchez de Merás.
"How Nitrogen modifies the Nuclear Magnetic Shielding in Tetraazanaphtalenes"
PHYSICAL CHEMISTRY CHEMICAL PHYSICS. (2009) 11, 4278–4285

C. Lavín, A. M. Velasco, M. V. Vega, I. Martín, J. Pitarch-Ruíz, J. Sánchez-Marín.
"Theoretical Study of Spectral Intensities of Formaldehyde in the Discrete and Continuum Regions"
THE JOURNAL OF PHYSICAL CHEMISTRY-A. 113, (2009), 7155-7160

J. Pitarch-Ruíz, J. Sánchez-Marín, C. Lavín, A. M. Velasco, I. Martín
"Rydberg, valence and mixed states in the vertical spectrum of HF"
CHEMICAL PHYSICS LETTERS. 476, (2009), 151-156

O. M. Rivera-Borroto, Y. Marrero-Ponce, A. Meneses-Marcel, J. A. Escario, A. Gómez Barrio, V. J. Arán, M. A. Martins Alho, D. Montero Pereira, J. J. Nogal, F. Torrens, F. Ibarra-Velarde, Y. Vera Montenegro, A. Huesca-Guillén, N. Rivera, C. Vogel.
"Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors".
QSAR Comb. Sci. (2009), 28, 9-26.

J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech, J. E. Rodríguez-Borges.
"Applications of bond-based 3D-chiral quadratic indices in QSAR studies related to central chirality codification".
QSAR Comb. Sci. (2009), 28, 1465-1477.

F. Torrens, G. Castellano.
"Resonance in interacting induced-dipole polarizing force fields: Application to force-field derivatives".
Algorithms (2009), 2, 437-447.

F. Torrens, G. Castellano, A. Campos, C. Abad.
"Binding of water-soluble, globular proteins to anionic model membranes".
J. Mol. Struct. (2009), 924-926, 274-284.

Y. Marrero-Ponce, S. E. Ortega-Broche, Y. Echeverría Díaz, Y. J. Alvarado, N. Cubillan, G. Casas Cardoso, F. Torrens, F. Pérez-Giménez.
"Nucleotide’s bilinear indices: Novel bio macromolecular descriptors for bioinformatics studies of nucleic acids". I. Prediction of paromomycin’s affinity constant with HIV 1 Ψ RNA packaging region.
J. Theor. Biol. (2009), 259, 229-241.

L. M. León, M. Laza, V. Puchol, F. Torrens, C. Abad, A. Campos.
"Dynamic mechanical measurements of epoxy matrix-silica nanocomposites II".
Polym. Polym. Compos. (2009), 17, 313-324.

F. Torrens, G. Castellano.
"Comparative analysis of the electrostatics of the binding of cationic proteins to vesicles: Asymmetric location of anionic phospholipids".
Anal. Chim. Acta (2009), 654, 2-10.

L. M. León, J. M. Laza, F. Torrens, V. Puchol, C. Abad, A. Campos.
"Incorporation of silica nanospherical particles in epoxy–amine crosslinked materials II. Dynamic mechanical measurements of epoxy matrix-silica nanocomposites".
Polym. Polym. Compos. (2009), 17, 397-406.

F. Torrens and G. Castellano.
"Topological charge-transfer indices: From small molecules to proteins".
Curr. Proteomics (2009), 6, 204-213.

F. Torrens, G. Castellano.
"Periodic classification of human immunodeficiency virus inhibitors". In: Biomedical Data and Applications, Eds. A. S. Sidhu, T. Dillon, M. Bellgard. Stud. Comput. Intelligence No. 224.
Springer, Berlin, 2009, pp. 1-65.

F. Torrens, G. Castellano.
"Classification of complex molecules". In: Foundations of Computational Intelligence Vol. 5. Eds. A. E. Hassanien, A. Abraham. Stud. Comput. Intelligence No. 205.
Springer, Berlin, 2009, pp. 243-315.

F. Torrens, G. Castellano.
"Asymptotic analysis of coagulation–fragmentation equations"
. In: Carbon Nanotubes: New Research. Ed., F. Columbus.
Nova, Hauppauge (NY), 2009, pp. 1-15.

F. Torrens, G. Castellano.
"Classification of human immunodeficiency virus inhibitors".
In: Health Informatics VII. Ed. A. Delgado-Ramos.v Dirección Nacional de Informática en Salud, Havana (Cuba), 2009, pp. 1-10.

F. Torrens, G. Castellano.
"Cluster nature of the solvent features of C nanohorns".
In: Minerals, Metals and Materials CXXXVIII.
TMS, Warrendale (PA), 2009, pp. 1-8.

F. Torrens, G. Castellano.
"Protein binding to vesicles: Asymmetric location of phospholipids".
In: Topics in Chemistry & Materials Science III.
Eds. G. Vayssilov, R. Nikolova.
Heron, Sofia (Bulgaria), 2009, pp. 72-82.

F. Torrens, G. Castellano.
"Cluster nature of C nanohorn solvent features".
In: Physics, Chemistry and Application of Nanostructures.
Eds. V. E. Borisenko, S. V. Gaponenko, V. S. Gurin.
World Scientific, Singapore (Singapore), 2009, pp. 1-4.

F. Torrens, G. Castellano,
"In-silico drug design and the molecular classification of local anaesthetics".
In: Bioinformatics Italian Society VI. Eds. D. Bordo, F. Masulli, M. Muselli, P. Romano.
Società di Bioinformatica Italiana, Bari (Italy), 2009, pp. 1-2.

F. Torrens and G. Castellano,
Riesgo de proliferación en el ciclo de combustible nuclear. In: Ingeniería de Residuos II. Eds. N. Molinares, A. Escudero, N. Logreira A. Sisa, M. A. Isaacs.
Universidad del Norte, Barranquilla (Colombia), 2009, pp. 1-1.

F. Torrens, G. Castellano.
"Asymmetric location of anionic phospholipids in vesicles".
In: Interdisciplinary Transport Phenomena VI. Ed. S. S. Sadhal.
University of Southern California, Los Angeles (California), 2009, pp. 1-12.

F. Torrens, G. Castellano.
"Exact structure of bacteriophage T4 and infection: Stopping Escherichia coli".
In: Synthetic Organic Chemistry XIII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2009, pp. 1-11.

J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech, J. E. Rodríguez-Borges.
"Applications of bond-based 3D-chiral quadratic indices in QSAR studies related to central chirality codification".
In: Synthetic Organic Chemistry XIII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2009, pp. 1-24.

J. A. Castillo-Garit, J. Escobar, Y. Marrero-Ponce, F. Torrens.
"Atom-based quadratic indices to predict aquatic toxicity of benzene derivatives to Tetrahymena pyriformis".
In: Synthetic Organic Chemistry XIII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2009, pp. 1-26.

F. Torrens, G. Castellano.
"Molecular classification of thiocarbamates with cytoprotection activity against anti-human immunodeficiency virus".
In: Synthetic Organic Chemistry XIII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2009, pp. 1-25.