artículo académico

• 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
• CHEMISTRYSELECT.  CHEMISTRYSELECT.  6(26):6690-6697. 2021
• KICK-FUKUI: A FUKUI FUNCTION-GUIDED METHOD FOR MOLECULAR STRUCTURE PREDICTION.  JOURNAL OF CHEMICAL INFORMATION AND MODELING.  61(8):3955-3963. 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
• AROMATICITY IN HETEROCYCLIC ANALOGUES OF BENZENE: DISSECTED NICS AND CURRENT DENSITY ANALYSIS.  JOURNAL OF PHYSICAL ORGANIC CHEMISTRY.  32(1):1-7. 2019
• 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
• 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