1. Fisicoquímica de la complexació macromolecular en sistemes col·loidals

• Casassas, E.; Esteban, M.; Ariño, C.; Puy, J.; Mas, F.; Díaz-Cruz, J.M. "Voltamperometría de las interacciones entre iones metálicos y ligandos macromoleculares: revisión crítica". Anales de Quimica, 87: 5 (1991) 616-625.

• Mas, F.; Puy, J.; Díaz-Cruz, J.M.; Esteban, M.; Casassas, E. " Induced reactant adsorption in normal pulse polarography of labile metal-polyelectrolyte systems. Part I.-Study of current-potential relationship assuming potential-independent adsorption parameters". Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 326 (1992), 299-316.

• Puy, J.; Mas, F.; Díaz-Cruz, J.M.; Esteban, M.; Casassas, E. "Induced reactant adsorption in normal pulse polarography of labile metal-polyelectrolyte systems. Part II. Study of current-potential relationship assuming potential-dependent adsorption parameters". Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 328 (1992), 271- 285.

• Puy, J.; Mas, F.; Díaz-Cruz, J.M.; Esteban, M.; Casassas, E. "Induced reactant adsorption in metal polyelectrolyte systems: Pulse polarographic study". Analytica Chimica Acta 268 (1992), 261-274.

• Mas, F.; Puy, J.; Díaz-Cruz, J.M.; Esteban, M.; Casassas, E. "Semi-empirical full-wave expression for induced reactant adsorption in normal pulse polarography of labile metal-polyelectrolyte systems". Analytica Chimica Acta 273 (1993), 297-304.

• Puy, J.; Salvador, J.; Galceran, J.; Esteban, M.; Díaz-Cruz, J.M.; Mas, F. "Voltammetry of labile metal-complex systems with induced reactant adsorption. Theoretical analysis for any ligand-to-metal ratio". Journal of Electroanalytical Chemistry 360 (1993), 1-25.

• Puy, J.; Galceran, J.; Salvador, J.; Cecília, J.; Díaz, J.M.; Esteban, M.; Mas, F. "Voltammetry of labile metal-macromolecular systems for any ligand-to-metal ratio, including adsorption phenomena. The role of the stability constant". Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 374 (1994), 223-234.

• Galceran, J.; Reñé, D.; Salvador, J.; Puy, J.; Esteban, M.; Mas, F. "Reverse pulse polarography of labile metal + macromolecule systems with induced reactant adsorption: theoretical analysis and determination of complexation and adsorption parameters". Journal of Electroanalytical Chemistry 375 (1994), 307-318.

• Galceran, J.; Puy, J.; Salvador, J.; Cecília, J.; Esteban, M.; Mas, F. "Influence of Adsorption on the Calibration Curves". Analytica Chimica Acta 305 (1995), 273-284.

• Galceran, J.; Puy, J.; Salvador, J.; Mas, F.; van Leeuwen, H.P. "Basis of the voltammetric analysis of labile-homofunctional macromolecule complexation". Journal of ElectroanalyticalChemistry and Interfacial Electrochemistry 391 (1995), 29-40.

• Puy, J.; Galceran, J.; Salvador, J.; Cecília, J.; Díaz, J.M.; Esteban, M.; Mas, F. "Erratum to 'Voltammetry of labile metal-macromolecular systems for any ligand-to-metal ratio including adsorption phenomena. The role of the stability constant'. J. Electroanal. Chem., 374 (1994) 223-234.

• Garcés, J.L.; Mas, F.; Cecília, J.; Galceran, J.; Salvador, J.; Puy, J. "Speciation measurements of labile metal-macromolecular systems by voltammetric techniques". Analyst 121 (1996), 1585-1861.

• Garcés, J.L.; Mas, F.; Puy, J. "The application of Maximum Entropy Formalism in the determination of the affinity spectrum in macromolecular complexation". Environmental Science & Technology 32 (1998), 538-548.

• Galceran, J.; Salvador, J.; Puy, J.; Mas, F.; Giménez, M.D.; Esteban, M. "Amalgamation effects in Reverse Pulse Polarography at spherical electrodes.Influence on Speciation Measurements". Journal of Electroanalytical Chemistry 442 (1998), 151-167.

• Garcés, J.L.; Mas, F.; Puy, J.; Galceran, J.; Salvador, J. "Metal-macromlolecule complexation. A thermodynamical approach based on the use of formal species". Journal of the Chemical Society-Faraday Transactions 94 (1998), 2783-2794.

• Puy, J.; Torrent, M.; Monné, J.; Cecília, J.; Galceran, J.; Salvador, J.; Garcés, J.L.; Mas, F.; Berbel, F. "Influence of the adsorption phenomena on the NPP and RPP limiting currents forlabile metal-macromolecule systems". Journal of Electroanalytical Chemistry 457 (1998), 229-246.

• Galceran, J.; Cecília, J.; Salvador, J.; Monné, J.; Torrent, M.; Companys, E.; Puy, J.; Garcés, J.L.; Mas, F. "Voltammetric currents for any ligand-to-metal concentration ratio in labile metal-macromolecular complexation. Easy computation, analytical properties of the currents and a graphical method to estimate the stabilityconstant". Journal of Electroanalytical Chemistry 472 (1999), 42-52.

• Garcés, J.L.; Mas, F.; Puy, J. "Complexation to macromolecules with a large number of sites". Journal of Chemical Physics 111 (1999), 2818-2828.

• Serra, R.; Mas, F.; Díaz-Cruz, J.M.; Ariño, C.; Esteban, M. "Heterogeneity of Cd(II)-macromolecule systems: A potentiometric study". Electroanalysis 12:1 (2000), 60-65.

• Garcés, J.L.; Mas, F.; Cecília, J.; Puy, J.; Galceran, J.;Salvador, J. "Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio. Part I. Approximate voltammetric expressions for thelimiting current to obtain complexation information". Journal of Electroanalytical Chemistry 484 (2000), 107-119.

• Berbel, F.; Díaz-Cruz, J.M.; Ariño, C.; Esteban, M.; Mas, F.; Garcés, J.L.;Puy, J. "Voltammetric analysis of heterogeneity in metal ion binding by hunics". Environmental Science & Technology 35 (2001), 1097-1102.

• Puy, J.; Torrent, M.; Galceran, J.; Cecília, J.; Salvador, J.; Monné, J.; Companys, E.; Garcés, J.L.; Mas, F. "Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio. Part II. Obtaining the binding curve from normalised". Journal of Electroanalytical Chemistry 514 (2001), 83-93.

• Garcés, J.L.; Mas, F.; Cecília, J.; Companys, E.; Galceran, J.; Salvador, J.; Puy, J. "Complexation isotherms in metal speciation studies at trace concentration levels. Voltammetric techniques in environmental samples". Physical Chemistry Chemical Physics 4 (2002), 3764-3773.

• Puy, J.; Torrent, M.; Galceran, J.; Cecília, J.; Salvador, J.; Monné, J.; Companys, E.; Garcés, J.L.; Mas, F. "Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio. Part III. Rigourous computation of the binding curve from the normalisez limiting currents". Journal of Electroanalytical Chemistry 530 (2002), 23-32.

• Companys, E.; Puy, J.; Torrent, M.; Galceran, J.; Salvador, J.; Garcés, J.L.; Mas, F. "Binding curve from normalised limiting currents of labile heterogeneous metal-macromolecular systems". Electroanalysis 15 (2003), 452-459.

• Galceran, J.; Puy, J.; Salvador, J.; Cecília, J.; Mas, F.; Garcés, J.L. "Lability and mobility effects of ligands under steady-state conditions". Physical Chemistry Chemical Physics 5 (2003), 5091-5100.

• Garcés, J.L.; Mas, F.; Puy, J. "Affinity distribution functions in multicomponent heterogeneous adsorption. Analytical inversion isotherms to obtain affinity spectra". Journal of Chemical Physics 120 (2004), 9266-9276.

• Torrent, M.; Puy, J.; Companys, E.; Salvador, J.; Galceran, J.; Garcés, J.L.; Mas, F. "Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio. Part IV. Binding curve from the polarographic wave". Journal of Electroanalytical Chemistry 577 (2005), 311-321.

• Garcés, J.L.; Mas, F.; Puy, J. "Conditional equilibrium constants in multicomponent heterogeneous adsorption. The conditional affinity spectrum". Journal of Chemical Physics 124:4 (2006), 044710-1-44710-14.

• Garcés, J.L.; Koper, G.J.M.; Borkorec, M. "Ionozation equilibria and conformational transitions in polyprotic molecules and polyelectrolytes". J. Phys. Chem. B, 110 (2006), 10397-10950.

• Madurga, S.; Martín-Molina, A.; Vilaseca, E.; Mas, F.; Quesada-Pérez, M. "Effect of the surface charge discretization on electric double layers. A Monte Carlo simulation study". Journal of Chemical Physics 126: 23 (2007), 234703-234711.

• Companys, E.; Garcés, J.L.; Salvador, J.; Galceran, J.; Puy, J.; Mas, F. "Electrostatic and specific proton binding to macromolecular ligands. A general analytical expression for the Donnan volume". Colloids and Surfaces A-Physicochemical and Engineering Aspects 306: 1-3 (2007), 2-13.

• Calin, D.; Companys, E.; Galceran, J.; Garcés, J.L.; Mas, F.; Rey-Castro, C.; Salvador, J.; Puy, J. "Competitive ion complexation to polyelectrolytes: determination of the stepwise stability constants. The Ca2+/H+/polyacrylate system". Journal of Physical Chemistry B 111: 35 (2007), 10421-10430.

• Calin, D.; Companys, E.; Galceran, J.; Garcés, J.L.; Mas, F.; Rey-Castro, C.; Salvador, J.; Puy, J. "Competitive Cd2+/H+ complexation to polyeacrylic acid described by the stepwise and intrinsic stability constants". Journal of Physical Chemistry B 112: 33 (2008), 10092-10100.

• Garcés, J.L.; Mas, F.; Acerenza, L.; Mizraji, E. "A hierarchical approach to the study of complex macromolecular binding systems". Journal of Biological Physics 34: 1-2 (2008), 213-235.

• Puy, J.; Galceran, J.; Huidobro, C.; Companys, E.; Samper, N.; Garcés, J.L.; Mas, F. "Conditional Affinity Spectra of Pb2+-Humic Acid Complexation from Data Obtained with AGNES". Environmental Science & Technology 42: 24 (2008), 9289-9295.

• Rey-Castro, C.; Mongin, S.; Huidobro, C.; David, C.; Salvador, J.; Garcés, J.L.; Galceran, J.; Mas, F.; Puy, J. "Effective Affinity Distribution for the Binding of Metal Ions to a Generic Fulvic Acid in Natural Waters". Environmental Science & Technology (2009), artículo en prensa.

• Puy, J.; Huidobro, C.; Calin, D.; Rey-Castro, C.; Salvador, J.; Companys, E.; Garcés, J.L.; Galceran, J.; Cecília, J.; Mas, F. "Conditional Affinity Spectra underlying NICA isotherm". Colloids and Surfaces A-Physicochemical and Engineering Aspects (2009), artículo en prensa.

• Madurga, S.; Garcés, J.L.; Companys, E.; Rey-Castro, C.; Salvador, J.; Galceran, J.; Vilaseca, E.; Puy, J.; Mas, F. "Ion binding to polyelectrolytes. Monte Carlo simulations versus classical mean field theories". Theoretical Chemistry Accounts (2009), artículo en prensa.

 

2. Simulació de processos de reacció-difusió en medis molt densos: gels i medis intracel·lulars

• Ortega, F.; Luis Acerenza, L.; Westerhoff, H. V.; Mas, F.; Cascante, M. "Product dependence and bifunctionality compromise the ultrasensitivity of signal transduction cascades", Proceedings of the National Academy of Sciences of the United States of America - PNAS, 99 (2002) 1170-1175.

• Ortega, F.; Ehrenberg, M.; Acerenza, L.; Westerhoff, H.V.; Mas, F.; Cascante, M. "Sensitivity analysis of metabolic cascades catalized by bifunctional enzymes". Molecular Biology Reports, 29: 1-2 (2002) 211-215.

• Isvoran, A.; Vilaseca, E.; Ortega, F.; Cascante, M.; Mas, F. "About implementing a Monte carlo simulation for enzymatic reactions in crowded media", J. Serbian Chem. Soc., 75 (2006) 75-86.

• Ortega, F.; Garcés, J.L.; Mas, F.; Kholodenko, B.; Cascante, M. "Bistability from double phosphorylation in signal transduction. Kinetic and structural requirements", FEBS Journal, 273: 17 (2006) 3915-3926.

• Isvoran, A.; Vilaseca, E.; Garcés, J.L.; Unipan, L.; Mas, F. "Simulation of diffusion in two-dimensional crowded media", AIP Conference Proceedings, 899 (2007) 469-470.

• Isvoran, A.; Vilaseca, E.; Unipan, L.; Garcés, J.L.; Mas, F. "Monte Carlo simulation of single-particle diffusion in two-dimensional and three-dimensional crowded media", Romanian J. Biophys., 17:1 (2007) 21-32.

• Isvoran, A.; Vilaseca, E.; Unipan, L.; Garcés, J.L.; Mas, F. "Computational study of diffusion in cellular two-dimensional crowded media modelled as a mixture of mobile and inmobile obstacles", Revue Roumaine de Chimie, 53: 5 (2008) 415-419.

• Isvoran, A.; Vilaseca, E.; Garcés, J.L.; Unipan, L.; Mas, F. "Non-classical kinetics for enzymatic reactions in two-dimensional media", Romanian Romanian J. Biophys (2009) en prensa.

 

3. Fenòmens d'adsorció, agregació i creixement fractal

• Mas, F.; Puy, J.; Sanz, F.; Virgili, J. "Potentiostatic reversible reactions when both reactant and product are adsorbed at the DME. I.- Theoretical treatment", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 158:2 (1983) 217-230.

• Puy, J.; Mas, F.; Sanz, F.; Virgili, J. "Potentiostatic reversible reactions when both reactant and product are adsorbed at the DME. II.- Langmuirian and Frumkinian adsorption", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 158 (1983) 231-252.

• Puy, J.; Mas, F.; Sanz, F.; Virgili, J. "Study of a simple redox system with adsorption of both reactant and product at the DME when a time dependent potential is applied. Pulse polarography. I. Theoretical treatment", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 183 (1985) 27-39.

• Mas, F.; Puy, J.; Sanz, F.; Virgili, J. "Study of a simple redox system with adsorption of both reactant and productat the DME when a time dependent potential is applied. Pulse polarography. II.- Langmuirian adsorption", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 183 (1985) 41-56.

• Sanz, F.; Mas, F.; Puy, J.; Virgili, J. "Study of a simple redox system with adsorption of both reactant and productat the DME when a time dependent potential is applied. Pulse polarography. III.- Langmurian adsorption in differential pulse polarography", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 183 (1985) 57-72.

• Mas, F.; Puy, J.; Sanz, F.; Virgili, J. "Study of a simple redox system with adsorption of both reactant and productat the DME when a time dependent potential is applied. Pulse polarography. IV.- Langmurian adsorption in normal pulse polarography", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 183 (1985), 73-89.

• Guaus, E.; Mas, F.; Puy, J.; Sanz, F. "A formalism for performing chronocoulometry at a stationary plenar or spherical electrode. Part I. Theoretical treatment with Langmuirian adsorption", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 224 (1987) 1-26.

• Puy, J.; Pla, M.; Mas, F.; Sanz, F. "Adsorption in double potential step chronocoulometry", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 241 (1988) 89-104.

• Vilaseca E.; Illas F., "Monte Carlo study of the vibrational frequency of halogen atoms chemisorbed on Ag (100): frequency vs coverage relationships", Chem. Phys. Lett., 159 (1989) 165-170.

• Hernàndez-Borrell, J.; Mas, F.; Puy, J., "A theoretical approach to describe monolayer-liposome interaction". Biophysical Chemistry, 36 (1990) 47-55.

• Sagués, F.; Mas, F.; Vilarrasa, M.; Costa, J.M., "Fractal electrodeposits of zinc and copper". Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 278 (1990) 351-360.

• Mas F.; Paniagua J.C.; Puy J.; Salvador J.; Vilaseca E., "Comment on deuterium nuclear fusion at room temperature: a pertinent inequality on barrier penetration", J. Chem. Phys., 93 (1990) 6118-6119.

• Trigueros, P.P.; Claret, J.; Mas, F.; Sagués, F. "Pattern morphologies in zinc electrodeposition". Journal of Electroanalytical Chemistry and Interfacial Electrochemistr, 312 (1991) 219-235.

• Mas, F.; Sagués, F. "Scaling Properties of the Growth Probability Distribution in Electrochemical Deposition". Europhysics Letters, 17: 6 (1992) 541-546.

• Nagatani, T.; Sagués, F.; Claret, J.; Mas, F.; Trigueros, P.P.; Mach, J. "Effect of drift on segregation in two-component diffusion-limited aggregation". Physical Review A, 45: 6 (1992) 3896-3902.

• Trigueros, P.P.; Claret, J.; Mas, F.; Sagués, F. "Some effects of cell dimensions on zinc electrodeposits". Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 328 (1992) 165-178.

• López-Tomàs, L.; Claret, J.; Mas, F.; Sagués, F. "Agregation under a forced convective flow". Physical Review B, 46: 12 (1992) 11495-11500.

• Trigueros, P.P.; Mas, F.; Claret, J.; Sagués, F.; Galceran, J.; Puy, J. "Monte Carlo simulation of diffusion-controlled response functions at 2D experimental rough electrodes", Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 348 (1993) 221-246.

• Trigueros, P.P.; Mach, J.; Claret, J.; Mas, F.; Sagués, F. "Fractal electrodeposits: morphology, growth dynamics and diffusion-limited response functions", Fractals-Complex Geometry Patterns and Scaling in Nature and Society, 1: 3 (1993) 439- 450.

• Mach, J.; Mas, F.; Sagués, F. "Laplacian Multifractality of the Growth Probability Distribution in Electrodeposition", Europhysics Letters, 25: 4 (1994) 271-276.

• Cecília, J.; Galceran, J.; Salvador, J.; Mas, F.; Puy, J. "Numerical Procedures in Electrochemical Simultation". International Journal of Quantum Chemistry, 51 (1994) 357-367.

• Sagués, F.; López-Tomàs, L.; Mach, J.; Reigada, R.; Trigueros, P.P.; Vilaseca, E.; Claret, J.; Mas, F. "Disordered Grown Systems: Generation and Fractal Analysis. Electrodeposition", International Journal of Quantum Chemistry, 52 (1994) 375-394.

• López-Tomàs, L.; Mach, J.; Trigueros, P.P.; Mas, F.; Claret, J.; Sagués, F. "Quasi-Twodimensional Electrodeposition: A Summarized Review on Morphology and Growth Mechanisms". Chaos Solitons & Fractals, 6 (1995) 287-294.

• Mach, J.; Mas, F.; Sagués, F. "Two representations in multifractal analysis", Journal of Physics A-Mathematical and General, 28 (1995) 5607-5622.

• Meléndez, R.; Meléndez-Hevia, E.; Mach, J.; Mas, F.; Cascante, M. "Physical constrains in the synthesis of glycogen which influence its structural homogeneity. A two-dimensional approach", Biophysical Journal, 75 (1998) 106-114.

• Vilaseca, E.; Trigueros, P.P.; Garcés, J.L.; Mas, F. "A computer simulation model to study the diffusion controlled nucleation and growth processes in electrode surfaces". Journal of Electroanalytical Chemistr,y 458 (1998), 55-72.

• Trias M.; Vilaseca E. "Brownian dynamics simulation of nucleation and growth processes at electrode surfaces: instantaneous nucleation", J. Electroanal. Chem., 569 (2004) 95-109.

 

4. Propietats moleculars en fase gas i en disolució

• Vilaseca E.; Perez E.; Mata F. "Evaluation of the dioxane effect on the dipole moment of malonic acid". Chem. Phys. Lett., 123 (1986) 305-310.

• Vilaseca E.; Perez E.; Mata F. "The use of conformational minima methods in the calculation of conformational dependent properties of non-rígid molecules: the mean dipole moment of malonic acid", An. Quim., 84 (1988) 334.

• Vilaseca E. "A Monte Carlo study of the dipole moment of a,w-dichloroalkanes and a,w-dibromoalkanes", J. Mol. Struct. (Theochem), 168 (1988) 147-160.

• Alemany P.; Vilaseca E. "Monte Carlo simulation of 1, 2-dichloroethane in dilute benzene solution", J. Mol. Struct. (Theochem), 181 (1988) 345-352.

• Vilaseca E. "Monte Carlo evaluation of TST rate constants of elementary processes", J. Mol. Struct. (Theochem), 166 (1988) 393-396.

• Alemany P.; Vilaseca E. "Monte Carlo study of the benzene effect on the dipole moment of 1,2-dichloroethane", Chem. Phys. Lett., 156 (1989) 525-532.

• Alemany P.; Vilaseca E. "Monte Carlo study of lactone formation kinetics",
J. Mol. Struct., 239 (1990) 193-203.

• Mas, F.; Paniagua, J.C.; Puy, J.; Salvador, J.; Vilaseca, E. "Comment on: Deuterium nuclear fusion at room temperature: A pertinent inequality on barrier penetration", Journal of Chemical Physics, 93: 8 (1990) 6118-6119.

• Vilaseca E. "Conformational analysis and dipole moments of dimethyl esters of some simple dicarboxylic acids. A Monte Carlo study", J. Phys. Chem., 97 (1993) 1684-1693.

• Solovieva L.A.; Akopyan S.Kh.; Vilaseca E. "Determination of ion association constants by means of IR absorption band intensities of the molecules forming the first coordination spheres of the cations", Spectrochimica Acta A, 50A (1994) 683-688.

• Vilaseca E. "Solvent effect on conformational equilibrium: A Monte Carlo study of 1, 2-dichloroethane in carbon tetrachloride", J. Chem. Phys., 104 (1996) 4243-4257.

• Vilaseca E. "Erratum to "Solvent effect on conformational equilibrium: A Monte Carlo study of 1, 2-dichloroethane in carbon tetrachloride", J. Chem. Phys., 110 (1999) 5473-5473.

• Vilaseca E. "A point-to-point Monte Carlo study of the conformational equilibrium of 1,2-dichloroethane in carbon tetrachloride", Mol. Phys., 97 (1999) 667-676.

• Madurga S.; Paniagua J.C.; Vilaseca E. "Solvent effect on conformational equilibrium: a Monte Carlo study of 1,3-dichloropropane in carbon tetrachloride", Chem. Phys., 255 (2000) 123-136.

• Akopyan S.; Bertagnolli H.; Boyarskaya I.; LeichtD.; Merkle R.; Solovieva L.; Vilaseca E., "IR spectra and microstructure of electrolyte solutions. Dependence of spectroscopic characteristics of solvated molecules on composition of solvates in the system CH3CN-Mg (ClO4)2-DMF", Phys. Chem. Chem. Phys., 3 (2001) 2098-2104.

• Madurga S.; Vilaseca E. "SCRF study of the conformational equilibrium of chorismate in water", Phys. Chem. Chem. Phys, 3 (2001) 3548-3554.

• Madurga S.; Vilaseca E. "Free energy calculations of conformational equilibrium of chorismate in water. The role of solute polarization", J. Phys. Chem. A, 106 (2002) 11822-11830.

• Di Gregorio G.; La Manna G.: Paniagua J.C.; Vilaseca E. "Conformational analysis of N-hydroxyurea in the gas phase", J. Mol. Struct. (Theochem), 673 (2004) 87-92.

• Di Gregorio G.; La Manna G.: Paniagua J.C.; Vilaseca E, "Erratum to "Conformational analysis of N-hydroxyurea in the gas phase", J. Mol. Struct. (Theochem), 679/3 (2004) 235-235.

• Madurga S.; Vilaseca E. "Solvent Effect on conformational Equilibrium of 1,2-Dichloroethane in Water. The Role of Solute Polarization", J. Phys. Chem. A, 108 (2004) 8439-8447.

• Madurga S.; Vilaseca E. "Free energy and entropy calculations in the conformational equilibrium of 1,2-dichloroethane in water", Chem. Phys. Lett., 406 (2005) 409-414

• Paniagua J.C.; Mota F., Solé A.; Vilaseca E. "Quantum Chemistry Laboratory at Home", J. Chem. Educ., 85 (2008) 1288-1290.