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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
1052014
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
522018
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
512017
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
452019
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
442019
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
422017
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
352019
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
332020
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
332019
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
322018
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
302018
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
302017
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
292018
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
282020
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
272015
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
262011
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
252014
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
242016
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
232019
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
232010
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