artículo académico

• Pentacoordinate chloro-iron(III) complexes based on new asymmetric salophen-N2O2 ligands: Structural, magnetic, and theoretical studies.  INORGANIC CHEMISTRY COMMUNICATIONS.  175. 2025
• Comparative Study of the Removal Efficiency of Nalidixic Acid by Poly[(4-vinylbenzyl)trimethylammonium Chloride] and N-Alkylated Chitosan through the Ultrafiltration Technique and Its Approximation through Theoretical Calculations.  POLYMERS.  15(15). 2023
• Multicomponent synthesis and photophysical study of novel alpha,beta-unsaturated carbonyl depsipeptides and peptoids.  FRONTIERS IN CHEMISTRY.  11. 2023
• New Mn(III) complexes with tetradentate cis-N2O2, acacen-type ligands. Synthesis and characterization, single-crystal X-ray diffraction and DFT studies.  INORGANICA CHIMICA ACTA.  555. 2023
• Preparation of dipolar Y(III)-based monoporphyrinate complexes: conventional vs microwave-assisted reaction and theoretical IR study.  JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY.  102(7-8):663-668. 2022
• Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction.  JOURNAL OF CHEMICAL INFORMATION AND MODELING.  61(8):3955-3963. 2021
• Novel 2-Pyrazolin-5-one Derivative through Unforeseen Orthoamide Intermediate: Mechanistic Insights on Isocyanide Based [4+1] Cycloaddition.  CHEMISTRYSELECT.  6(26):6690-6697. 2021
• Synthesis, characterization, X-ray structure, electrochemistry, photocatalytic activity and DFT studies of heterotrinuclear Ni(II), Pd(II) and Zn(II) complexes containing a formylferrocene thiosemicarbazone ligand.  APPLIED ORGANOMETALLIC CHEMISTRY.  34(12). 2020
• AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules.  JOURNAL OF CHEMICAL THEORY AND COMPUTATION.  15(2):1463-1475. 2019
• Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis.  JOURNAL OF PHYSICAL ORGANIC CHEMISTRY.  32(1):1-7. 2019
• Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon.  NEW JOURNAL OF CHEMISTRY.  43(17):6781-6785. 2019
• Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn6Ge2Bi](3-) and [(Sn6Ge2Bi)(2)](4-) Structures.  EUROPEAN JOURNAL OF INORGANIC CHEMISTRY.  58(15):10057-10064. 2019
• Relativistic effects on the ring current strengths of the substituted borazine: B 3 N 3 H 6 (X=H, F, Cl, Br, I, At).  INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.  119(11):1-8. 2019
• Aromaticity of [M-3(mu-X)(3)X-6](0/2-) (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field.  EUROPEAN JOURNAL OF INORGANIC CHEMISTRY.  28:3312-3319. 2018
• Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re-6(mu(3)-Q)(8)X-6](4-) clusters.  NEW JOURNAL OF CHEMISTRY.  42(7):5471-5478. 2018
• Exploring the potential energy surface of small lead clusters using the gradient embedded genetic algorithm and an adequate treatment of relativistic effects.  RSC ADVANCES.  8(1):145-152. 2018
• Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  18(48):33218-33225. 2016
• Insights on the structural and electronic properties of ScCn+, YCn+, LaCn+ (n=3-6) systems.  THEORETICAL CHEMISTRY ACCOUNTS.  135(9):1-10. 2016
• Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study.  JOURNAL OF PHYSICAL CHEMISTRY A.  119(38):9931-9940. 2015
• Computational study of organo-cesium complexes and the possibility of lanthanide/actinide ions substitution.  CHEMICAL PHYSICS LETTERS.  641:181-186. 2015
• Exploring the nature of the excitation energies in [Re-6(mu(3)-Q(8))X{6](4-) clusters: a relativistic approach.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  17(27):17611-17617. 2015
• New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity.  JOURNAL OF PHYSICAL CHEMISTRY LETTERS.  6(21):4326-4330. 2015
• The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium-Carbonate-Promoted Cascades.  ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.  54(40):11672-11676. 2015
• Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  16(47):25978-25988. 2014
• Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re-6(mu(3)-Q(8))](2+) Clusters.  JOURNAL OF PHYSICAL CHEMISTRY A.  118(46):11083-11089. 2014