Academic interests
My PhD project focus on 2c- 4c- relativistic calculations of NMR parameters using DFT for comparison with experimental data on complexes involving d- and f- shells (Pt and 4th group metallocene complexes). I have working experience as technical service engineer for water treatment operations, my research interests spans from theoretical chemistry methods to spectroscopy applications as XAS, NMR, in order to understand chemical reactivity on inorganic complexes and theory of complex spectra.
Academic Background
(2017-2020) M. Sc. Chemistry. Thesis: Interpretation of x-ray absorption spectra: calculation of ligand field parameters and its implementation in multiplet simulations.
(2011-2017) Bachelor's degree in Chemical Engineering. Thesis: Analysis of charge transfer in curcumin: Measurement and simulation of cyclic voltammetry.
Work Experience
(2020-2021) SAQUIMI. Technical service engineer. Resposible on water treatment operations for scaling and corrosion control in critical systems (Cooling towers, boilers, heat-exchangers, Ion-exchange/zeolite filters).
Awards
(2017-2020) Master studies fellowship. Conacyt 473265.
(2015-2016) Bachelor's thesis fellowship, SEP/PRODEP project grant DSA/103.5/15/3252.
(2016) Outstanding performance (TDSS), CENEVAL EGEL/IQUIM exam.
(2014) PROSNI scholarship under supervision of Dr. Roberto Flores Moreno.
(2011) XX National Chemistry Olympics. Prize, 3rd place A. Toluca, Mexico.
Previous publications
Contreras, F. J.; Flores-Moreno, R.; Guerrero-Cruz, J. A.; Mendizabal, E.; Gonzalez-
Ortiz, L. J.; Parametrización del modelo de estado isomérico rotacional utilizando primeros principios y la teoría funcional de densidad auxiliar. Revista Iberoamericana de Polmeros. 2018, vol.19, N. 5, 182-198.
Villalobos-Castro, J. D. J.; Guerrero-Cruz, J. A.; Zuniga-Gutierrez, B. A.; Flores-Moreno, R.; Local density fitting applied to second order propagator equations for core electron binding energies. Comput. Theor. Chem. 2018, 1136-1137, 29-33.
Huyke, D. A.; Ramachandran, A.; Ramirez-Neri, O.; Guerrero-Cruz, J. A.; Gee, L. B.;
Braun, A., Sokaras, D.; Garcia-Estrada, B.; Solomon, E. I.; Hedman, B.; Delgado-Jaime, M. U.; DePonte, D. P.; Kroll, T.; Santiago, J. G.; Millisecond timescale reactions observed via X-ray spectroscopy in a 3D microfabricated fused silica mixer. J. Synchrotron Rad. 2021, 28, 1100-1113.
María G. Herrera-Yáñez, J. Alberto Guerrero-Cruz, Mahnaz Ghiasi, Hebatalla Elnaggar, Andrea de la Torre-Rangel, L. Alejandra Bernal-Guzmán, Roberto Flores-Moreno, Frank M. F. de Groot, and Mario U. Delgado-Jaime; Inorganic Chemistry 2023 62 (9), 3738-3760