Dayan Paez Hernandez

Líneas de investigación

• Structure and Physicochemical properties of lanthanide and actinide compounds
• Applications of Relativistic Quantum Mechanics and post-Hartree-Fock based methods
• Molecular spectroscopy

Tus publicaciones

• RELAXATION OF NO+ BY COLLISION WITH PARA-H2 (J = 0) Autores: Cabrera-González, D., Páez-Hernández, D., Denis-Alpizar, O., Año: 2020 Link: https://doi.org/10.1093/mnras/staa722
• THEORETICAL EXAMINATION OF COVALENCY IN BERKELIUM(IV) CARBONATE COMPLEXES Autores: Albrecht-Schmitt, E., Hobart, E., Páez-Hernández, D., Celis-Barros, C., Año: 2020 Link: https://doi.org/10.1002/qua.26254
• THE ROLE OF THE EXCITED STATE DYNAMIC OF THE ANTENNA LIGAND IN THE LANTHANIDE SENSITIZATION MECHANISM Autores: Beltrán-Leiva, J., Solis-Céspedes, E., Páez-Hernández, D., Año: 2020 Link: https://doi.org/10.1039/d0dt01132k
• STRUCTURAL CHARACTERIZATION, DFT CALCULATION, NCI, SCAN-RATE ANALYSIS AND ANTIFUNGAL ACTIVITY AGAINST BOTRYTIS CINEREA OF (E)-2-{[(2-AMINOPYRIDIN-2-YL)IMINO]-METHYL}-4,6-DI-TERT-BUTYLPHENOL (PYRIDINE SCHIFF BASE) Autores: Carreño, A., Páez-Hernández, D., Cantero-López, P., Zúñiga, C., Nevermann, J., Ramírez-Osorio, A., Gacitúa, M., Oyarzún, P., Sáez-Cortez, F., Polanco, R., Otero, C., Fuentes, A., Año: 2020 Link: https://doi.org/10.3390/molecules25122741
• SENSING MECHANISM ELUCIDATION OF A EUROPIUM(III) METALORGANIC FRAMEWORK SELECTIVE TO ANILINE Autores: Hidalgo-Rosa, Y., Treto-Suárez, A., Schott, E., Zarate, X., Páez-Hernández, D., Año: 2020 Link: https://doi.org/10.1002/jcc.26365
• SENSING MECHANISM ELUCIDATION OF A CHEMOSENSOR BASED ON A METAL-ORGANIC FRAMEWORK SELECTIVE TO EXPLOSIVE AROMATIC COMPOUNDS Autores: Hidalgo-Rosa, Y., Treto-Suárez, A., Schott, E., Zarate, X., Páez-Hernández, D., Año: 2020 Link: https://doi.org/10.1002/qua.26404
• NEW SENSITIVE AND SELECTIVE CHEMICAL SENSORS FOR NI2+ AND CU2+ IONS Autores: Treto-Suárez, A., Tapia, J., Hidalgo-Rosa, Y., Páez-Hernández, D., Molins, E., Zarate, X., Schott, E., Año: 2020 Link: https://doi.org/10.1021/acs.jpca.0c03834
• A NEW APPROACH TO THE MECHANISM FOR THE ACETALIZATION OF BENZALDEHYDE OVER MOF CATALYSTS Autores: Camu, E., Pazo, C., Becerra, D., Hidalgo-Rosa, Y., Paez-Hernandez, D., Zarate, X., Schott, E., Escalona, N., Año: 2020 Link: https://doi.org/10.1039/d0nj02416c
• EXPLORING RHENIUM (I) COMPLEXES AS POTENTIAL FLUOROPHORES FOR WALLED-CELLS (YEASTS AND BACTERIA) Autores: Carreño, A., Páez-Hernández, D., Zúñiga, C., Ramírez-Osorio, A., Pizarro, N., Vega, A., Solis-Céspedes, E., Rivera-Zaldívar, M., Silva, A., Fuentes, A., Año: 2021 Link: https://doi.org/10.1016/j.dyepig.2020.108876
• FLUORESCENCE TURN-ON AND TURN-OFF MECHANISMS OF A DUAL-SELECTIVE CHEMOSENSOR OF BI3+ AND PH CHANGES Autores: Treto-Suárez, A., Hidalgo-Rosa, Y., Schott, E., Páez-Hernández, D., Zarate, X., Año: 2021 Link: https://doi.org/10.1016/j.dyepig.2020.108934
• NEW CATIONIC FAC-[RE(CO)3(DEEB)B2]+ COMPLEX, WHERE B2 IS A BENZIMIDAZOLE DERIVATIVE, AS A POTENTIAL NEW LUMINESCENT DYE FOR PROTEINS SEPARATED BY SDS-PAGE Autores: Carreño, A., Gacitúa, M., Solis-Céspedes, E., Páez-Hernández, D., Swords, B., Meyer, J., Preite, D., Chávez, I., Vega, A., Fuentes, A., Año: 2021 Link: https://doi.org/10.3389/fchem.2021.647816
• THE ROLE PLAYED BY STRUCTURAL AND ENERGY PARAMETERS OF -DIKETONES DERIVATIVES AS ANTENNA LIGANDS IN EU(III) COMPLEXES Autores: Arrué, L., Santoyo-Flores, J., Pizarro, N., Zarate, X., Páez-Hernández, D., Schott, E., Año: 2021 Link: https://doi.org/10.1016/j.cplett.2021.138600
• A CLOSE COUPLING STUDY OF THE BENDING RELAXATION OF H2O BY COLLISION WITH HE Autores: Stoecklin, T., Cabrera-González, D., Denis-Alpizar, O., Páez-Hernández, D., Año: 2021 Link: https://doi.org/10.1063/5.0047718
• INSIGHTS INTO THE SELECTIVE SENSING MECHANISM OF A LUMINESCENT CD(II)-BASED MOF CHEMOSENSOR TOWARD NACS Autores: Hidalgo-Rosa, Y., Mena-Ulecia, K., Treto-Suárez, A., Schott, E., Páez-Hernández, D., Zarate, X., Año: 2021 Link: https://doi.org/10.1007/s10853-021-06196-3
• THE ROLE OF ZERO-FIELD SPLITTING AND -STACKING INTERACTION OF DIFFERENT NITROGEN-DONOR LIGANDS ON THE OPTICAL PROPERTIES OF LUMINESCENT RHENIUM TRICARBONYL COMPLEXES Autores: Cantero-López, P., Hidalgo-Rosa, Y., Sandoval-Olivares, Z., Santoyo-Flores, J., Mella, P., Arrué, L., Zúñiga, C., Arratia-Pérez, R., Páez-Hernández, D., Año: 2021 Link: https://doi.org/10.1039/d1nj01544c
• MAGNETIC PROPERTIES OF ORGANOLANTHANIDE(II) COMPLEXES, FROM THE ELECTRONIC STRUCTURE AND THE CRYSTAL FIELD EFFECT Autores: Solís-Cespedes, E., Páez-Hernández, D., Año: 2021 Link: https://doi.org/10.1039/d1dt01494c
• ORGANOTIN SCHIFF BASES AS HALOFLUOROCHROMIC DYES Autores: López-Espejel, M., Gómez-Treviño, A., Muñoz-Flores, M., Treto-Suarez, A., Schott, E., Páez-Hernández, D., Zarate, X., Jiménez-Pérez, M., Año: 2021 Link: https://doi.org/10.1039/d1tb01405f
• A THEORETICAL CHEMISTRY-BASED STRATEGY FOR THE RATIONAL DESIGN OF NEW LUMINESCENT LANTHANIDE COMPLEXES Autores: Cantero-López, P., Santoyo-Flores, J., Vega, A., Carreño, A., Fuentes, A., Ramirez-Osorio, A., Ortiz, A., Illicachi, A., Sánchez, J., Olea, F., Páez-Hernández, D., Año: 2021 Link: https://doi.org/10.1039/d1dt02037d
• THE ROLE OF SUBSTITUTED PYRIDINE SCHIFF BASES AS ANCILLARY LIGANDS IN THE OPTICAL PROPERTIES OF A NEW SERIES OF Autores: Morales-Guevara, R., Fuentes, A., Paez-Hernández, D., Carreño, A., Año: 2021 Link: https://doi.org/10.1039/d1ra05737e
• CREATION OF AN UNEXPECTED PLANE OF ENHANCED COVALENCY IN CERIUM(III) AND BERKELIUM(III) TERPYRIDYL COMPLEXES Autores: Gaiser, N., Celis-Barros, C., White, D., Beltran-Leiva, J., Sperling, M., Salpage, R., Poe, N., Gomez Martinez, D., Jian, T., Wolford, J., Jones, J., Ritz, J., Lazenby, A., Gibson, K., Baumbach, E., Páez-Hernández, D., Neidig, L., Albrecht-Schnzart, E., Año: 2021 Link: https://doi.org/10.1038/s41467-021-27576-y
• INTRAMOLECULAR HYDROGEN BOND IN PYRIDINE SCHIFF BASES AS ANCILLARY LIGANDS OF RE(I) COMPLEXES IS A SWITCHER BETWEEN VISIBLE AND NIR EMISSIONS: A RELATIVISTIC QUANTUM CHEMISTRY STUDY Autores: Rosaly Morales-Guevara;Juan A. Fuentes;Dayán Páez-Hernández;Alexander Carreño; Año: 2022 Link: https://doi.org/10.1021/acs.jpca.2c06435
• ONE-DIMENSIONAL COII AND NIII HELICAL COORDINATION POLYMERS EXHIBITING ZERO-FIELD SPLITTING Autores: Ana Karina Seguin;Carlos Cruz;Katherine Villafuerte;Dayán Páez-Hernández;Diego Venegas-Yazigi;Verónica Paredes-García; Año: 2022 Link: https://doi.org/10.1021/acs.cgd.2c00728
• INTO THE ROLE OF UNSATURATED TRINUCLEAR METAL CARBONYLS IN THE FORMATION OF [M3(23-BPP)(CO)10] WITH M=RU OS: A DFT STABILITY ANALYSIS AND ELECTRONIC STRUCTURE Autores: Katherine Paredes-Gil;Esperanza Galarza;Jose Y. Aguilar-Hurtado;Eduardo Solís-Céspedes;Dayán Páez-Hernández; Año: 2022 Link: https://doi.org/10.1007/s10876-022-02389-1
• UNDERSTANDING THE DEACTIVATING/ACTIVATING MECHANISMS IN THREE OPTICAL CHEMOSENSORS BASED ON CROWN ETHER WITH NA + /K + SELECTIVITY USING QUANTUM CHEMICAL TOOLS Autores: Manuel A. TretoSuárez;Eduardo Schott;Karel Mena Ulecia;Bryan D. Koivisto;Yoan HidalgoRosa;Dayán PáezHernández;Ximena Zarate; Año: 2022 Link: https://doi.org/10.1002/cphc.202200188
• QUANTUM INELASTIC SCATTERING OF ARHAR+ HEHHE+ AND NEHNE+ WITH HE ON NEW POTENTIAL ENERGY SURFACES Autores: Otoniel Denis-Alpizar;Lisan David Cabrera-González;Dayan Páez-Hernández;Ricardo Pino-Rios; Año: 2022 Link: https://doi.org/10.1021/acsearthspacechem.2c00131
• ANTIFERROMAGNETIC COUPLING SUPPORTED BY METALLOPHILIC INTERACTIONS: THEORETICAL VIEW Autores: Zoraida Sandoval-Olivares;Eduardo Solis-Céspedes;Dayán Páez-Hernández; Año: 2022 Link: https://doi.org/10.1021/acs.inorgchem.1c03068
• INSIGHTS INTO THE ROLE OF DAA TYPE PROAROMATIC ORGANIC DYES WITH THIENO[34B]PYRAZINE AS A ACCEPTOR GROUP INTO DYESENSITIZED SOLARCELLS. A TDDFT/PERIODIC DFT STUDY Autores: Katherine ParedesGil;Dayán PáezHernández;Ramiro ArratiaPérez;Fernando Mendizábal; Año: 2020 Link: https://doi.org/10.1002/qua.26108
• RADIATIVE DECAY CHANNEL ASSESSMENT TO UNDERSTAND THE SENSING MECHANISM OF A FLUORESCENT TURNON AL 3+ CHEMOSENSOR Autores: Manuel A. TretoSuárez;Yoan HidalgoRosa;Eduardo Schott;Ximena Zarate;Dayan PáezHernández; Año: 2020 Link: https://doi.org/10.1002/qua.26083
• ROTATIONAL STATE-TO-STATE RATE COEFFICIENTS OF HEHNE+ BY COLLISION WITH HE AT LOW TEMPERATURES Autores: Otoniel Denis-Alpizar;Lisan David Cabrera-González;Gustavo Orellana-González;Dayan Páez-Hernández; Año: 2023 Link: https://doi.org/10.1021/acsearthspacechem.2c00302