Joaquín Hernández-Fernández

Jul 22, 2024 | mdpi.com | Rafael González-Cuello |Luis Fuentes |Joaquín Hernández-Fernández |Heliana Milena Castellanos

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Oct 11, 2023 | mdpi.com | Joaquín Hernández-Fernández |Rafael González-Cuello |Rodrigo Ortega-Toro

3.2. Frontier Molecular Orbitals and Global Structure–Activity DescriptorsDensity functional theory (DFT) has successfully provided a theoretical foundation for explaining important chemical concepts such as electronegativity, hardness, and softness as well as more specific concepts like the Fukui function and local softness.

Sep 18, 2023 | mdpi.com | Joaquín Hernández-Fernández |Rafael González-Cuello |Rodrigo Ortega-Toro

3.1. Conditions and Study VariablesIn the present study, Figure 1 shows the measurements made in pairs of variables concerning the concentration of N, N-dimethylformamide (DMF). Specifically, the relationship between the DMFA concentration and two key variables was analyzed: the amount of polypropylene (PP) produced, expressed in metric tons (MT), and the productivity of the Ziegler–Natta (ZN) catalyst, measured in terms of metric tons of PP per kilogram of solvent (MT/kg).

Aug 31, 2023 | mdpi.com | Joaquín Hernández-Fernández |Rodrigo Ortega-Toro |Rafael González-Cuello

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