Dayán Páez-Hernández
Dayán Páez-Hernández
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO2 model for dye-sensitized solar cell applications: A DFT/TD …
K Paredes-Gil, F Mendizabal, D Páez-Hernández, R Arratia-Pérez
Computational Materials Science 126, 514-527, 2017
Exploring the geometrical and optical properties of neutral rhenium (I) tricarbonyl complex of 1, 10-phenanthroline-5, 6-diol using relativistic methods
A Carreño, E Solis-Cespedes, D Páez-Hernández, R Arratia-Pérez
Chemical Physics Letters 685, 354-362, 2017
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