Magnetic Properties and Electronic Structure of Neptunyl (VI) Complexes: Wavefunctions, Orbitals, and Crystal‐Field Models F Gendron, D Páez‐Hernández, FP Notter, B Pritchard, H Bolvin, ... Chemistry–A European Journal 20 (26), 7994-8011, 2014 | 105 | 2014 |
Study of the structure–bioactivity relationship of three new pyridine Schiff bases: synthesis, spectral characterization, DFT calculations and biological assays A Carreño, C Zúñiga, D Páez-Hernández, M Gacitúa, R Polanco, C Otero, ... New Journal of Chemistry 42 (11), 8851-8863, 2018 | 52 | 2018 |
Theoretical method for an accurate elucidation of energy transfer pathways in europium (III) complexes with dipyridophenazine (dppz) ligand: one more step in the study of the … MJ Beltrán-Leiva, P Cantero-López, C Zúñiga, A Bulhões-Figueira, ... Inorganic Chemistry 56 (15), 9200-9208, 2017 | 51 | 2017 |
Luminescent europium (III) and terbium (III) complexes of β-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer … Z Abbas, S Dasari, MJ Beltrán-Leiva, P Cantero-López, ... New Journal of Chemistry 43 (38), 15139-15152, 2019 | 45 | 2019 |
Novel fluorescent Schiff bases as Al3+ sensors with high selectivity and sensitivity, and their bioimaging applications J Berrones-Reyes, BM Muñoz-Flores, A Gómez-Treviño, MA Treto-Suárez, ... Materials Chemistry and Physics 233, 89-101, 2019 | 44 | 2019 |
Electronic structure and properties of berkelium iodates MA Silver, SK Cary, AJ Garza, RE Baumbach, AA Arico, GA Galmin, ... Journal of the American Chemical Society 139 (38), 13361-13375, 2017 | 42 | 2017 |
Understanding the Selective-Sensing Mechanism of Al3+ Cation by a Chemical Sensor Based on Schiff Base: A Theoretical Approach MA Treto-Suárez, Y Hidalgo-Rosa, E Schott, X Zarate, D Páez-Hernández The Journal of Physical Chemistry A 123 (32), 6970-6977, 2019 | 35 | 2019 |
The role of the excited state dynamic of the antenna ligand in the lanthanide sensitization mechanism MJ Beltrán-Leiva, E Solis-Céspedes, D Páez-Hernández Dalton Transactions 49 (22), 7444-7450, 2020 | 33 | 2020 |
Quantum chemical elucidation of the turn-on luminescence mechanism in two new Schiff bases as selective chemosensors of Zn 2+: Synthesis, theory and bioimaging applications JC Berrones-Reyes, BM Muñoz-Flores, AM Cantón-Diáz, ... RSC advances 9 (53), 30778-30789, 2019 | 33 | 2019 |
Theoretical determination of energy transfer processes and influence of symmetry in Lanthanide (III) complexes: Methodological considerations MJ Beltrán-Leiva, D Páez-Hernández, R Arratia-Pérez Inorganic Chemistry 57 (9), 5120-5132, 2018 | 32 | 2018 |
Rare‐Earth Metal(II) Aryloxides: Structure, Synthesis, and EPR Spectroscopy of [K(2.2.2‐cryptand)][Sc(OC6H2tBu2‐2,6‐Me‐4)3] SA Moehring, MJ Beltrán‐Leiva, D Páez‐Hernández, R Arratia‐Pérez, ... Chemistry–A European Journal 24 (68), 18059-18067, 2018 | 30 | 2018 |
Coinage metal superatomic cores: Insights into their intrinsic stability and optical properties from relativistic DFT calculations F Gam, D Paez‐Hernandez, R Arratia‐Perez, CW Liu, S Kahlal, ... Chemistry–A European Journal 23 (47), 11330-11337, 2017 | 30 | 2017 |
Two new fluorinated phenol derivatives pyridine Schiff bases: synthesis, spectral, theoretical characterization, Inclusion in epichlorohydrin-β-cyclodextrin polymer, and … A Carreño, L Rodríguez, D Páez-Hernández, R Martin-Trasanco, ... Frontiers in chemistry 6, 312, 2018 | 29 | 2018 |
Sensing mechanism elucidation of a europium (III) metal–organic framework selective to aniline: A theoretical insight by means of multiconfigurational calculations Y Hidalgo‐Rosa, MA Treto‐Suárez, E Schott, X Zarate, ... Journal of Computational Chemistry 41 (22), 1956-1964, 2020 | 28 | 2020 |
Spectral, theoretical characterization and antifungal properties of two phenol derivative Schiff bases with an intramolecular hydrogen bond A Carreño, M Gacitúa, D Páez-Hernández, R Polanco, M Preite, ... New Journal of Chemistry 39 (10), 7822-7831, 2015 | 27 | 2015 |
Bonding Nature and Electron Delocalization of An(COT)2, An = Th, Pa, U D Páez-Hernández, JA Murillo-López, R Arratia-Pérez The Journal of Physical Chemistry A 115 (32), 8997-9003, 2011 | 26 | 2011 |
Magnetic properties of a fourfold degenerate state: Np4+ ion diluted in Cs2ZrCl6 crystal DP Hernández, H Bolvin Journal of Electron Spectroscopy and Related Phenomena 194, 74-80, 2014 | 25 | 2014 |
Fluorescence probes for prokaryotic and eukaryotic cells using Re (CO) 3+ complexes with an electron withdrawing ancillary ligand A Carreño, M Gacitúa, JA Fuentes, D Páez-Hernández, JP Peñaloza, ... New Journal of Chemistry 40 (9), 7687-7700, 2016 | 24 | 2016 |
Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1 … A Carreño, E Solís-Céspedes, C Zúñiga, J Nevermann, ... Chemical Physics Letters 715, 231-238, 2019 | 23 | 2019 |
Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes D Páez-Hernández, R Ramírez-Tagle, E Codorniu-Hernández, ... Polyhedron 29 (3), 975-984, 2010 | 23 | 2010 |