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Publicacions en revistes

  • Ramis, R.; Ortega-Castro, J.; Vilanova, B.; Adrover, M.; Frau, J., "A Systematic DFT study of some plausible Zn(II) and Al(III) interaction sites in N-terminally acetylated α-synuclein", "Journal of Physical Chemistry A", Volum 122, Número 2, Pàgines 690-699, 2018. Article.
  • Konar, S.; Dey, A.; Ray, S.; Das, K.; Chatterjee, S.; Ray, P. P.; Ortega-Castro, J.; Frontera, A.; Mukhopadhyay, S., "Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis", "Journal Of Physical Chemistry C", Volum 122, Pàgines 8724-8734, 2018. Article.
  • Frau J.; Glossman-Mitnik D., "Chemical Reactivity Theory Applied to the Calculation of the local reactivity descriptors of a colored Maillard Reaction Product", "Chemical Science International Journal", Volum 22, Pàgines 1-14, 2018. Article.
  • Frau J.; Flores-Holguín N.; Glossman-Mitnik D., "Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors", "Computational Molecular Bioscience", Volum 8, Pàgines 80-90, 2018. Article.
  • Frau J.; Glossman-Mitnik D., "Computational Study of the Chemical Reactivity of the Blue-M1 intermediate melanoidin", "Computational And Theoretical Chemistry", Volum 1134, Pàgines 22-29, 2018. Article.
  • Frau J.; Glossman-Mitnik D., "Conceptual DFT Study of the Local Chemical Reactivity of the colored BISARG Melanoidin and its protonated derivativa", "Frontiers In Chemistry", Volum 6, Pàgines 135-144, 2018. Article.
  • Frau J.; Glossman-Mitnik D., "Local Molecular Reactivity of the colored Dansylglycine in water and Dioxane studied through Conceptual DFT", "Journal Of Chemistry", Volum 3172412, Pàgines 1-7, 2018. Article.
  • Frau J.; Glossman-Mitnik D., "Blue M2: an intermediate melanoidin studied via Conceptual DFT", "Journal of Molecular Modeling", Volum 24, Pàgines 138-151, 2018. Article.
  • Frau J.; Glossman-Mitnik D., "Molecular Reactivity and Absroption Properties of Melanoidin Blue-G1 through Conceptual DFT", "Molecules", Volum 23, Pàgines 559, 2018. Article.
  • Frau J.; Glossman-Mitnik D., "Conceptual DFT study ot the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins", "Theoretical Chemistry Accounts", Volum 137, Pàgines 67, 2018. Article.
  • Frau, J.; Donoso J.; Salvà A.; Martín M.; Palacio E.; Vergés A.; Cuenca M.P.; Sabater C.; Ferrer L., "Actions to improve the achievement of scientific competencies in primary education", "EDULEARN Proceedings", 2018. Article.
  • Sanchis, P; Rivera, R.; Berga, F.; Fortuny, R.; Adrover, M.; Costa-Bauza, A.; Grases, F.; Masmiquel, L., "Phytate Decreases Formation of Advanced Glycation End-Products in Patients with Type II Diabetes: Randomized Crossover Trial.", "Scientific Reports", Volum 8, Número 1, Pàgines 9619, 2018. Article.
  • Frau J.; Flores-Holguín N.; Glossman-Mitnik D., "Chemical Reactivity properties, pKa values, AGEs inhibitor abilities and bioactivity scores of the mirabamides A-H peptides of marine origin studied by means of conceptual DFT", "Marine Drugs", Volum 16, Número 302, Pàgines 1-19, 2018. Article.
  • Hossain, A.; Dey, A.; Seth, S. K.; Ray, P. P.; Ballester, P.; Pritchard, R. G.; Ortega-Castro, J.; Frontera, A.; Mukhopadhyay, S., "Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-?Aminopyrimidine Ligand in Copper(II)?-?Phthalate MOFs: Experimental and Theoretical Rationalization", "ACS Omega", Volum 3, Pàgines 9160-9171, 2018. Article.
  • Purkayastha, A.; Debnath, D.; Majumder, M.; Ortega-Castro, J.; Kirillov, A. M.; Ganguly, R.; Klak, J.; Frontera, A.; Misra, T. K., "Nickel(II) based homo- vs. heterometallic 1D coordination polymers derived from a novel 6-?aminouracil building block: Structures, topologies, non-?covalent interactions, magnetism, and antibacterial activity", "Inorganica Chimica Acta", Volum 482, Pàgines 384-394, 2018. Article.
  • Banerjee, S.; Dey, A.; Ghorai, P.; Brandao, P.; Ortega-Castro, J.; Frontera, A.; Ray, P. P.; Saha, A., "Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule", "New Journal of Chemistry", Volum 42, Pàgines 13430-13441, 2018. Article.
  • Josefa Donoso; Laura Ferrer; Valeria Eim; Carlos Palomino; Laura Mariño; Francisca Vallespir., "Didactic experimental workshops on natural sciences: improving capabilities and scientific skills of primary school teachers", "EDULEARN Proceedings", Pàgines 2614-2621, 2018. Article.