publicaciones seleccionadas 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