"2008"

A. Ortiz, B. Insuasty, M.R. Torres, M.A. Herranz, N. Martin, R. Viruela, E. Orti.
"Aminopyrimidine-Based Donor-Acceptor Chromophores: Push-Pull versus Aromatic Behaviour".
EUR. J. ORG. CHEM. (2008), 99-108.

L. Serrano-Andrés, M. Merchán, and A. C. Borin
"A Three-State Model for the Photophysics of Guanine".
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. (2008) 130, 2473-2484

L. Serrano-Andrés and M. Merchán.
"Photostability and Photoreactivity in Biomolecules: Quantum Chemistry of Nucleic Acid Base Monomers and Dimers".In: Radiation Induced Molecular Phenomena in Nucleic Acid: A Comprehensive Theoretical and Experimental Analysis.
Eds. M. K. Shukla and J. Leszczynski, Springer, The Netherlands, Chapter 16, (2008) pp 435-472

M. Rubio, L. Serrano-Andrés, and M. Merchán
"Excited States of the Water Molecule: Analysis of the Valence and Rydberg Character".
JOURNAL OF CHEMICAL PHYSICS (2008) 128, 104305-1-12

A. Strambi, P. B. Coto, L. M. Frutos, N. Ferré, and M. Olivucci
"Relationship between the Excited State Relaxation Paths of Rhodopsin and Isorhodopsin".
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008), 130, 3382-3388

I. Barth, J. Manz, and L. Serrano-Andrés
"Toroidal Electric Ring Currents and Magnetic Fields in Oriented Linear Molecules Induced by Circularly Polarized Laser Pulses: Quantum Ab Initio Simulations for AlCl" .
CHEMICAL PHYSICS (2008), 347, 263-271

J. J. Serrano-Pérez, M. Merchán, and L. Serrano-Andrés
"Photosensitization and Phototherapy with Furocoumarins: a Quantum Chemical Study" .
CHEMICAL PHYSICS (2008), 347, 422-435

P. B. Coto, A. Strambi, and M. Olivucci
"Effect of Opsin on the Shape of the Potential Energy Surface at the Conical Instersection of the Rhodopsin Chromophore" .
CHEMICAL PHYSICS (2008), 347, 483-491

D. Roca-Sanjuán, M. Merchán, and L. Serrano-Andrés
"Modeling Hole Transfer in DNA: Low-lying Excited States of Oxidized Cytosine Homodimer and Cytosine-Adenine Heterodimer" .
CHEMICAL PHYSICS (2008), 349, 188-196

D. J. Klein, J. I. Burgos, L. Serrano-Andrés, and J. M. Oliva
"On the Effect of Radical Character, Substitution, and Atom Encapsulation on the Volume of Icosahedral (Car)boranes" .
AFINIDAD LXV (2008), 533, 32-38  

P. B. Coto, S. Martí, M. Oliva, M. Olivucci, M. Merchán, and J. Andrés
"Origin of the Absorption Maxima of the Photoactive Yellow Protein resolved via ab initio Multiconfigurational Methods ".
JOURNAL OF PHYSICAL CHEMISTRY B. (2008) 112, 7153-7156

D. Roca-Sanjuán, G. Olaso-González, I. González-Ramírez, L. Serrano-Andrés, and M. Merchán
"Molecular Basis of DNA Photodimerization: Intrinsic Production of Cyclobutane Cytosine Dimers" .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 130, 10768-10779 (2008)

J. J. Serrano-Pérez, R. González-Luque, M. Merchán, and L. Serrano-Andrés
"The Family of Furocoumarins: Looking For the Best Photosensitizer for Phototherapy" .
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A: CHEMISTRY. (2008) 199, 34-41

L. Serrano-Andrés, D. Klein, P. v. R. Schleyer, and J. M. Oliva
"What Electronic Structures and Geometries of Carborane Mono- and ortho-, meta-, and para-Diradicals are Preferred?"
JOURNAL OF CHEMICAL THEORY AND COMPUTATION. (2008) 4, 1338-1347

D. Roca-Sanjuán, M. Merchán, L. Serrano-Andrés, and M. Rubio
"Ab Initio Determination of the Electron Affinities of DNA and RNA Nucleobases" .
JOURNAL OF CHEMICAL PHYSICS. (2008) 129, 095104

V. Ludwig, M. S. Amaral, Z. M. Costa, A. C. Borin, S. Canuto, and L. Serrano-Andrés
"2-Aminopurine Nonradiative Decay and Emission in Aqueous Solution: A Theoretical Study" .
CHEMICAL PHYSICS LETTERS. (2008) 463, 201-205

I. Barth, L. Serrano-Andrés, and T. Seideman
"Nonadiabatic Orientation, Toroidal Current, and Induced Magnetic Field in BeO Molecules" .
JOURNAL OF CHEMICAL PHYSICS. (2008) 129, 164303-1,12

J. J. Serrano-Pérez, M. Merchán, and L. Serrano-Andrés
"Photoreactivity of Furocoumarins and DNA in PUVA Therapy: Formation of Psoralen-Thymine Adducts ".
JOURNAL OF PHYSICAL CHEMISTRY B. (2008) 112, 14002-14010

J. J. Serrano-Pérez, I. González-Ramírez, P. B. Coto, M. Merchán, and L. Serrano-Andrés
"Theoretical Insight into the Intrinsic Ultrafast Formation of Cyclobutane Pyrimidine Dimers in UV-Irradiated DNA: Thymine versus Cytosine" .
JOURNAL OF PHYSICAL CHEMISTRY B. (2008) 112, 14096-14098

G. Pérez-Hernández, L. González, and L. Serrano-Andrés
"Rydberg or Valence? The Long-Standing Question in the UV-Absorption Spectrum of 1,1'-Bicyclohexyliden" .
CHEMPHYSCHEM. (2008) 9, 2544-2549

J. Pitarch-Ruiz, J. Sanchez-Marin, A. M. Velasco.
"Full Configuration Interaction calculation of the low lying valence and Rydberg states of BeH".
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008) 29 , 523-532

V.Pérez Mondéjar, I. García Cuesta, P. Lazzeretti, J. Sánchez-Marín y A. M. Sánchez de Merás
"Electronic structure of the ground and excited states of β-carboline"
CHEMPHYSCHEM. (2008) 9, 896-901

I. García Cuesta, J. Sánchez-Marín, T. B. Pedersen, H. Koch, A. M. Sánchez de Merás.
"Variation of polarizability in the [4n+2] annulene series: From [22]- to [66]-Annulene"
PHYS. CHEM. CHEM. PHYS. (2008) 10, 361–365

J. Pitarch-Ruiz, A. Sanchez de Meras, J. Sanchez-Marín, A.M. Velasco, C. Lavin, I. Martin.
"Low-lying Rydberg states of HCl".
JOURNAL OF PHYSICAL CHEMISTRY A. (2008) 112, 3275-3280

A. Monari, J. Pitarch-Ruiz, G.L. Bendazzoli, S. Evangelisti, J. Sanchez-Marin.
"A Full Configuration-Interaction Study on the Tetrahedral Li4 Cluster"
JOURNAL OF CHEMICAL THEORY AND COMPUTATION. (2008) 4, 404-413

J. Pitarch-Ruiz, J. Sanchez-Marin, A.M. Velasco, I. Martin.
"Full configuration interaction calculation of BeH adiabatic states".
JOURNAL OF CHEMICAL PHYSICS. (2008) 129, 054310-1-19

A.M. Velasco, C. Lavin, I. Martin, J. Pitarch-Ruiz, J. Sanchez-Marin.
"Theoretical study of the discrete and continuum spectrum of BeH"..
CHEMICAL PHYSICS LETTERS. (2008) 462, 344-347

Y. M. Alvarez-Ginarte, Y. Marrero-Ponce, J. A. Ruiz-Garcia, L. A. Montero-Cabrera, J. M. Garcia de la Vega, P. Noheda-Marin, R. Crespo-Otero. F. Torrens-Zaragoza, R. García-Domenech.
"Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids".
J. Comput. Chem. (2008), 29, 317-333.

F. Torrens, L. Solar, V. Puchol, J. Latorre, C. Abad, A. Campos.
"Incorporation of silica nanospherical particles into epoxy-amine cross-linked materials.
Polym. Polym". Compos. (2008) 16, 139-152.

J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech.
"Estimation of ADME properties in drug discovery: Predicting Caco 2 cell permeability using atom-based stochastic and non stochastic linear indices".
J. Pharm. Sci. (2008), 97, 1946-1976.

Y. Marrero-Ponce, A. Meneses-Marcel, O. M. Rivera-Borroto, R. García-Domenech, J. V. de Julián-Ortiz, A. Montero, J. A. Escario, A. Gómez Barrio, D. Montero Pereira, J. J. Nogal, R. Grau, F. Torrens, C. Vogel, V. J. Arán.
"Bond-based linear indices in QSAR: Computational discovery of novel anti trichomonal compounds".
J. Comput.-Aided Mol. Design (2008), 22, 523-540.

J. A. Castillo-Garit, Y. Marrero-Ponce, J. Escobar, F. Torrens, R. Rotondo.
"A novel approach to predict aquatic toxicity from molecular structure".
Chemosphere (2008), 73, 415-427.

J. A. Castillo-Garit, O. Martinez-Santiago, Y. Marrero-Ponce, G. M. Casañola-Martín, F. Torrens.
"Atom-based non stochastic and stochastic bilinear indices: Application to QSPR/QSAR studies of organic compounds".
Chem. Phys. Lett. (2008), 464, 107-112.

F. Torrens, C. M. Gómez, L. M. León, C. Abad, A. Campos.
"Modelling studies of the phase behaviour of monomer/polymer/disk composites.
Macromol". Theory Simul. (2008), 17, 325-340.

J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech, V. Romero Zaldivar.
"Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification".
J. Comput. Chem. (2008), 29, 2500-2512.

Y. Marrero-Ponce, F. Torrens, R. García-Domenech, S. E. Ortega-Broche, V. Romero Zaldivar.
"Novel 2D TOMOCOMD-CARDD molecular descriptors: Atom-based stochastic and non stochastic bilinear indices and their QSPR applications".
J. Math. Chem. (2008), 44, 650-673.

Y. Marrero-Ponce, J. A. Castillo-Garit, E. A. Castro, F. Torrens, R. Rotondo.
"3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: Theory and QSAR applications to central chirality codification".
J. Math. Chem. (2008), 44, 755-786.

A. Meneses-Marcel, O. M. Rivera-Borroto, Y. Marrero-Ponce, A. Montero, Y. Machado Tugores, J. A. Escario, A. Gómez Barrio, D. Montero Periera, J. J. Nogal, V. V. Kouznetsov, C. Ochoa Puentes, A. R. Bohórquez, R. Grau, F. Torrens, F. Ibarra-Velarde, V. J. Arán.
"New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors".
J. Biomol. Screen. (2008), 13, 785-794.

F. Torrens, I. S. Monzó, C. M. Gómez-Clarí, C. Abad, A. Campos.
"Study and comparison of interaction parameters and phase behaviour of epoxy/polystyrene and epoxies copolymer polystyrene–b–poly(methyl methacrylate) blends".
Polym. Compos. (2008), 29, 1337-1345.

F. Torrens, G. Castellano.
"Improvement of charge-transfer indices for multifunctional amino acids: Application to lysozyme".
SAR QSAR Environ. Res. (2008), 19, 643-654.

F. Torrens, G. Castellano.
"Fractal dimension of transdermal-delivery drug models: 4-Alkylanilines".
J. Liq. Chromatogr. Relat. Technol. (2008), 31, 2337-2347.

F. Torrens, G. Castellano.
"Properties of fullerite and other symmetric carbon forms: Similarity laws".
Symmetry (2008), 19, 341-370.

F. Torrens, G. Castellano.
"Properties of fullerenes and other polyhedral cages: Isoperimetric quotient".
Symmetry (2008), 19, 371-383.

F. Torrens, G. Castellano.
"Nuevo diseño y aproximaciones no ortodoxas con nanotubos de carbono".
In:Sensors: A Local Approach.
Eds., E. García Breijo, L. Gil Sánchez, á. Maquieira Catalá, M. D. Marcos Martínez, R. Martínez Máñez, R. Puchades Pla, J. V. Ros Lis, F. Sancenón Galarza, J. Soto Camino.
Universidad Politécnica de Valencia, València, 2008, ch. 52, pp. 409-415.

F. Torrens, G. Castellano.
"A new tool for interrogation of macromolecular structure in chemical education".
In:Synthetic Organic Chemistry XII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2008, pp. 1-17.

R. Medina Marrero, Y. Marrero-Ponce, Y. Echeverría Díaz, G. M. Casañola-Martín, M. García Bernal, F. Torrens, F. Pérez Giménez.
"TOMOCOMD-CARDD method in early drug discovery-based rational drug selection of antifungal agents. A comparative study"
In: Synthetic Organic Chemistry XII. Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2008, pp. 1-27.

J. A. Castillo-Garit, Y. Marrero-Ponce, F. Torrens, R. García-Domenech.
"Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification". In: Synthetic Organic Chemistry XII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2008, pp. 1-25.

Y. Marrero-Ponce, G. M. Casañola-Martín, M. T. H. Khan, A. Ather, K. M. Khan, V. Romero Zaldivar, F. Torrens, R. Rotondo, F. Pérez-Giménez.
"Bond-based 2D quadratic fingerprints in QSAR studies. Virtual and in vitro tyrosinase inhibitory activity elucidation".
In: Synthetic Organic Chemistry XII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2008, pp. 1-36.

Y. Marrero-Ponce, S. E. Ortega-Broche, Y. Echeverría Díaz, Y. J. Alvarado, N. Cubillan, R. Grau, 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".
In:Synthetic Organic Chemistry XII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2008, pp. 1-50.

Y. Marrero Ponce, S. E. Ortega-Broche, Y. Echeverría Díaz, F. Torrens, F. Pérez-Giménez.
"TOMOCOMD-CAMPS and protein bilinear indices: Novel bio macromolecular descriptors for protein research. I. Predicting protein stability effects of a complete set of alanine substitutions in Arc repressor".
In:Synthetic Organic Chemistry XII.
Eds. J. A. Seijas, M. P. Vázquez Tato.
MDPI, Basel (Switzerland), 2008, pp. 1-55.

F. Torrens, G. Castellano. 
"High-performance size-exclusion chromatography as a technique for characterizing the interaction between polyanions and cationic liposomes".
In:Ingeniería de Materiales Biopoliméricos I.
Ed. J. Cortés.
Fundación para la Educación Superior Internacional, Xalapa (Veracruz, Mexico), 2008, pp. 1-14.

F. Torrens and G. Castellano.
"Phylogenesis by information entropy: Avian birds and 1918 influenza virus".
In: Modelling & Simulation II.
Eds. S. Turner, J. Yunus.
IEEE, London, 2008, pp. 1-2.