| New QSPR model for prediction of corrosion inhibition using conceptual density functional theory RL Camacho-Mendoza, L Feria, LÁ Zárate-Hernández, ... Journal of Molecular Modeling 28 (8), 238, 2022 | 31 | 2022 |
| The use of global and local reactivity descriptors of conceptual DFT to describe toxicity of benzoic acid derivatives C Ramírez-Martínez, LA Zárate-Hernández, RL Camacho-Mendoza, ... Computational and Theoretical Chemistry 1226, 114211, 2023 | 17 | 2023 |
| Mechanosynthesis of photochromic oligophenyleneimines: Optical, electrochemical and theoretical studies MA Amado-Briseño, LÁ Zárate-Hernández, K Alemán-Ayala, ... Molecules 24 (5), 849, 2019 | 15 | 2019 |
| The chemical reactivity and QSPR of organic compounds applied to dye-sensitized solar cells using DFT LAZ Hernández, RL Camacho-Mendoza, S González-Montiel, ... Journal of Molecular Graphics and Modelling 104, 107852, 2021 | 7 | 2021 |
| On the interaction of anisole and thioanisole derivatives with gold clusters studied by DFT RL Camacho-Mendoza, LA Zárate-Hernández, JM Vásquez-Pérez, ... Computational and Theoretical Chemistry 1126, 54-64, 2018 | 7 | 2018 |
| QSTR modeling to find relevant DFT descriptors related to the toxicity of carbamates EH Acosta-Jiménez, LA Zárate-Hernández, RL Camacho-Mendoza, ... Molecules 27 (17), 5530, 2022 | 5 | 2022 |
| Synthesis and characterization of organopalladium (II) complexes of N, N, S–tridentate sulfur-containing Schiff bases derived from 2-(2-pyridyl) benzothiazolines JA Alvarez-Hernandez, N Andrade-Lopez, JG Alvarado-Rodriguez, ... Polyhedron 214, 115635, 2022 | 5 | 2022 |
| Activation of Pt–O and Pt–H bonds: DFT studies on adsorption of [Gd (H2O) n] 3+(n= 8–9) with Ptn (n= 3–7) cluster M Carmona-Pichardo, RL Camacho-Mendoza, LAZ Hernandez, ... Computational and Theoretical Chemistry 1047, 47-54, 2014 | 5 | 2014 |
| Conceptual DFT, machine learning and molecular docking as tools for predicting LD50 toxicity of organothiophosphates UJ Rangel-Peña, LA Zárate-Hernández, RL Camacho-Mendoza, ... Journal of Molecular Modeling 29 (7), 217, 2023 | 4 | 2023 |
| A DFT Study of the Reaction of Acrylamide with L-Cysteine and L-Glutathione S Ramirez-Montes, LA Zárate-Hernández, JA Rodriguez, EM Santos, ... Molecules 27 (23), 8220, 2022 | 2 | 2022 |
| Estudio del mecanismo para obtener metanol a partir de CO A Reyes-Zambrano, LÁ Zárate-Hernández, J Cruz-Borbolla, ... Pädi Boletín Científico de Ciencias Básicas e Ingenierías del ICBI 11 (21 …, 2023 | 1 | 2023 |
| A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters JM Vásquez-Pérez, LÁ Zárate-Hernández, CZ Gómez-Castro, ... Journal of Chemical Information and Modeling 63 (4), 1157-1165, 2023 | 1 | 2023 |
| Estudio TFD de cúmulos de Pt-Ir con geometría prisma triangular UJ Rangel-Peña, LA Zárate-Hernández, RL Camacho-Mendoza, ... Pädi Boletín Científico De Ciencias Básicas E Ingenierías Del ICBI 9 …, 2021 | 1 | 2021 |
| Theoretical study of the oxidative desulfurization reaction in sulfur compounds present in crude oil LI Perea-Ramírez, P Zerón, LÁ Zárate-Hernández, G Castro, M Galván, ... Computational and Theoretical Chemistry 1241, 114887, 2024 | | 2024 |
| Assessment of Simultaneous Global Optimization of Geometry and Total Spin of Small Iron Clusters LÁ Zárate-Hernández, JM Vásquez-Pérez, J Cruz-Borbolla Journal of Chemical Theory and Computation 18 (7), 4565-4573, 2022 | | 2022 |
| New QSPR model for prediction of corrosion inhibition using Conceptual Density Functional Theory J Cruz-Borbolla, RL Camacho-Mendoza, L Feria, LÁ Zárate-Hernández, ... | | 2022 |
Julián Cruz BorbollaÁrea Académica de QuímicaVerifierad e-postadress på uaeh.edu.mx
