Dr. BERNARDO ANTONIO ZÚÑIGA GUTIÉRREZ
bernardo.zuniga@academicos.udg.mx
Departamento de adscripción:
QUIMICA
Nombramiento: PROFESOR DOCENTE ASOCIADO "B"
Categoría: DEFINITIVO
Resumen curricular:
El Dr. Bernardo Antonio Zúñiga Gutiérrez es profesor del Centro Universitario de Ciencias Exactas de la Universidad de Guadalajara. Es Químico y Doctor en Ciencias Químicas. Es miembro del Sistema Nacional de Investigadores nivel I, cuenta con 16 artículos JCR y tres capítulos de libros. Su linea de investigación es el estudio del magnetismo molecular usando la Teoría de los Funcionales de la Densidad, en especifico los apantallamientos magnéticos y la magnetizabilidad; y la constante de acoplamiento de espines nucleares. Además del estudio de efectos relativistas en éstas propiedades moleculares. También desarrolla sofware de Química computacional. Ha participado en diversos congresos tanto nacionales como internacionales.
Perfil de Investigador SNII:
Nivel SNII:
I
Área del conocimiento:
II. Biología y Química
Campo de investigación:
Química Teórica
Periodo vigente:
1 de enero de 2021
-
31 de diciembre de 2025
Perfil PRODEP:
Inicio de la vigencia:
15 de diciembre de 2021
Fin de la vigencia:
14 de diciembre de 2024
Bases de datos bibliográficas:
Publicaciones del académico:
2023 - 1 articulos.
- Semiempirical Approach to the Fukui Function Analysis of Uric Acid under Different pH Conditions
2022 - 7 articulos.
- Author Correction: Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms (Nature Communications, (2021), 12, 1, (2477), 10.1038/s41467-021-22715-x)
- 1H NMR global diatropicity in copper hydride complexes
- Author Correction: Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms
- RSC Theoretical and Computational Chemistry Series
- Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms (vol 12, 2477, 2021)
- Author Correction: Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms
- 1 H NMR global diatropicity in copper hydride complexes
2021 - 6 articulos.
- G 0 W 0 based on time-dependent auxiliary density perturbation theory
- Metallaborazines: To Be or Not To Be Delocalized
- G0W0 based on time-dependent auxiliary density perturbation theory
- Cubic aromaticity in ligand-stabilized doped Au superatoms
- Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms
- QM/MM with Auxiliary DFT in deMon2k
2020 - 7 articulos.
- Enthalpy of formation for indazoles (indazole, 1H-indazole-3-carboxylic acid, 1H-indazole-5-carboxylic acid, 1H-indazole-6-carboxylic acid and 1-methyl-1H-indazole-6-carboxylic methyl ester): experimental and theoretical studies
- Analysis of the electronic delocalization in some isoelectronic analogues of B12doped with beryllium and/or carbon
- Analysis of the electronic delocalization in some B12s isoelectronic analogues doped with beryllium and/or carbon
- Enthalpy of formation for indazoles (indazole, 1 H-indazole-3-carboxylic acid, 1 H-indazole-5-carboxylic acid, 1 H-indazole-6-carboxylic acid and 1-methyl-1 H-indazole-6 …
- Analysis of the electronic delocalization in some B12´ s isoelectronic analogues doped with beryllium and/or carbon
- Calculation of the EPR g-tensor from auxiliary density functional theory
- Analysis of the electronic delocalization in some isoelectronic analogues of B 12 doped with beryllium and/or carbon
2018 - 3 articulos.
- Local density fitting applied to second order propagator equations for core electron binding energies
- Version 6. The deMon developers
- The deMon2k Users’ Guide, Version 5.0
2017 - 1 articulos.
2016 - 3 articulos.
- Analytical GGA exchange-correlation kernel calculation in auxiliary density functional theory
- Analytical GGA exchange–correlation kernel calculation in auxiliary density functional theory
- Auxiliary density functional theory: From molecules to nanostructures
2015 - 4 articulos.
- Frontiers in Computational Chemistry: Volume 2 Computer Applications for Drug Design and Biomolecular Systems
- Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory
- Efficient Calculation of the Rotational g Tensor from Auxiliary Density Functional Theory
- First Principles Computational Biochemistry with deMon2k