Directorio

Franco-Pérez, H., Franco-Pérez, M., González-González, S., Rodríguez-Lozada, J.*, & Zamudio-Medina, A.* (2024). Synthesis of the Biginelli Reaction Using a Variety of Juices As Catalyst in the Heterocyclic Chemistry Laboratory. Journal Of Chemical Education, 102(1), 331–337.
DOI:10.1021/acs.jchemed.4c00837

Perea-Ramírez, L. I.,* Zerón, P., Zárate-Hernández, L. Á., Castro, G., Galván, M., Franco-Pérez, M., Matus, M. H.*, & Cruz, J.* (2024). Theoretical study of the oxidative desulfurization reaction in sulfur compounds present in crude oil. Computational And Theoretical Chemistry, 1241, 114887.
DOI:10.1016/j.comptc.2024.114887

Franco-Pérez, M., Heidar-Zadeh, F., Ayers, P. W., De Proft, F., Vela, A.*, Gázquez, J. L., & Geerlings, P. (2024). Temperature and External Fields in Conceptual Density Functional Theory. Chemical Science, 15(48), 20090-20121.
DOI:10.1039/d4sc04181j

García-Aranda, M. I., Franco‐Pérez, M.*, & Zamudio‐Medina, A.* (2023). A novel and simple experimental procedure for synthesizing, purifying, and identifying coumarin in undergraduate heterocyclic chemistry laboratories. Journal of Chemical Education, 100(10), 4001-4006.
DOI:10.1021/acs.jchemed.3c00272

Pantoja-Hernández, M. A.*, Franco‐Pérez, M., Miranda‐Quintana, R. A., & Gázquez, J. L.* (2023). Perturbed reactivity descriptors in the two parabolas model of fractional electron number. Theoretical Chemistry Accounts, 142(10), 92.
DOI:10.1007/s00214-023-03048-y

Reyna-Luna, J., Soriano‐Agueda, L.*, Vera, C. J.*, & Franco‐Pérez, M. (2023). Insights into the coordination chemistry of antineoplastic doxorubicin with 3d-transition metal ions Zn²⁺, Cu²⁺, and VO²⁺: a study using well-calibrated thermodynamic cycles and chemical interaction quantum chemistry models. Journal of Computer-Aided Molecular Design, 37(7), 279-299.
DOI:10.1007/s10822-023-00506-4

Franco‐Pérez, M.* (2023). A thermodynamic relationship between the chemical equilibrium constant and the dielectric properties of the reaction medium: solvent mixtures and universal solvents. The Journal of Chemical Physics, 158(22), 224116.
DOI:10.1063/5.0149586

Pantoja-Hernández, M., Franco, M., Miranda-Quintana, R., & Gázquez, J.* (2023). Perturbed reactivity descriptors in the grand canonical ensemble. Molecular Physics.
DOI:10.1080/00268976.2023.2199105

González-González, S., Franco, M.*, Jardínez, C.*, Cariño-Moreno, J., Ramírez-Sotelo, M., & Zamudio-Medina, A.* (2023). Synthesis, characterization, and quantum chemistry local chemical reactivity description of new phosphorylated derivatives of piperazine. Phosphorus, Sulfur, and Silicon and the Related Elements, 1-11.
DOI:10.1080/10426507.2023.2193404

García-Aranda, M. I., Franco-Pérez, M., Bonilla-Landa, I., Castrejón-Flores, J. L.*, & Zamudio-Medina, A.* (2022). Synthesis of new aromatic phosphoramidates under a three-component reaction. Phosphorus, Sulfur, and Silicon and the Related Elements, 1-6.
DOI:10.1080/10426507.2022.2053854

Franco-Pérez, M.* (2022). The electronic temperature and the effective chemical potential parameters of an atom in a molecule. A Fermi–Dirac semi-local variational approach. Physical Chemistry Chemical Physics, 24(2), 807-816.
DOI:10.1039/d1cp04071e

Franco-Pérez, M.*, Castrejón-Flores, J. L., González-González, S., Landa, I. B., & Zamudio-Medina, A.* (2021). A new tricomponent reaction for the synthesis of symmetric and asymmetric alkyl bisphosphoramidates. Phosphorus, Sulfur and Silicon and the Related Elements.
DOI:10.1080/10426507.2021.1946061

Gázquez, J. L.*, Franco‐Pérez, M., Ayers, P. W., & Vela, A. (2021). Conceptual Density Functional Theory in the Grand Canonical Ensemble. Chemical Reactivity in Confined Systems, 191–211.
DOI:10.1002/9781119683353.ch11

Zamudio-Medina, A.*, Pérez-Hernández, N., Castrejón-Flores, J. L., Romero-García, S., Prado-García, H., Bañuelos-Hernández, A., & Franco-Pérez, M.* (2021). Obtaining symmetric and asymmetric bisphosphoramidates and bisphosphoramidothioates by a single step multicomponent reaction. Phosphorus, Sulfur, and Silicon and the Related Elements, 1-9.
DOI:10.1080/10426507.2021.1878358

Castrejón-Flores, J. L., Reyna-Luna, J., Flores-Martinez, Y. M., García-Ventura, M. I., Zamudio-Medina, A., & Franco-Pérez, M. (2020). Characterizing the thermal degradation mechanism of two bisphosphoramidates by TGA, DSC, mass spectrometry and first-principle theoretical protocols. Journal of Molecular Structure, 1221.
DOI:10.1016/j.molstruc.2020.128781

Franco-Pérez, M., Gázquez, J. L., Ayers, P. W., & Vela, A. (2020). Temperature-Dependent Approach to Electronic Charge Transfer. The Journal of Physical Chemistry A.
DOI:10.1021/acs.jpca.0c02496

Reyna-Luna, J., Flores, R., Gómez-Balderas, R., & Franco-Pérez, M. (2020). Chemical Equilibrium of Zinc Acetate Complexes in Ethanol Solution. A Theoretical Description through Thermodynamic Cycles. Journal of Physical Chemistry B, 124(16), 3355-3370.
DOI:10.1021/acs.jpcb.9b10687

Franco-Pérez, M., Polanco-Ramírez, C. A., Gázquez, J. L., Ayers, P. W., & Vela, A. (2020). Study of organic reactions using chemical reactivity descriptors derived through a temperature-dependent approach. Theoretical Chemistry Accounts, 139(3).
DOI:10.1007/s00214-020-2557-4

Franco-Pérez, M., & Gázquez, J. L. (2019). Electronegativities of pauling and mulliken in density functional theory. Journal of Physical Chemistry A, 123(46), 10065-10071.
DOI:10.1021/acs.jpca.9b07468

Franco-Pérez, M. (2019). An electronic temperature definition for the reactive electronic species: Conciliating practical approaches in conceptual chemical reactivity theory with a rigorous ensemble formulation. Journal of Chemical Physics, 151(7).
DOI:10.1063/1.5096561

Castrejon-Flores, J. L., Guevara-Moreno, O. E., Díaz-Contreras, R. R., Gutiérrez-Carrillo, A., Franco-Pérez, M., Suárez-Moreno, G. V., & Zamudio-Medina, A. (2019). Multicomponent one-pot synthesis of (dihydro-1H-benzo[d]imidazole) phosphonate. Phosphorus, Sulfur and Silicon and the Related Elements, 194(11), 1062-1066.
DOI:10.1080/10426507.2019.1602834

Gázquez, J. L., Franco-Pérez, M., Ayers, P. W., & Vela, A. (2019). Temperature-dependent approach to chemical reactivity concepts in density functional theory. International Journal of Quantum Chemistry, 119(2).
DOI:10.1002/qua.25797

Miranda-Quintana, R. A., Franco-Pérez, M., Gázquez, J. L., Ayers, P. W., & Vela, A. (2018). Chemical hardness: Temperature dependent definitions and reactivity principles. Journal of Chemical Physics, 149(12).
DOI:10.1063/1.5040889

Franco-Pérez, M., Polanco-Ramírez, C. A., Gázquez, J. L., & Ayers, P. W. (2018). Local and nonlocal counterparts of global descriptors: The cases of chemical softness and hardness. Journal of Molecular Modeling, 24(10).
DOI:10.1007/s00894-018-3823-4

Robles, A., Franco-Pérez, M., Gázquez, J. L., Cárdenas, C., & Fuentealba, P. (2018). Local electrophilicity. Journal of Molecular Modeling, 24(9).
DOI:10.1007/s00894-018-3785-6

Franco-Pérez, M., Polanco-Ramírez, C. A., Gázquez, J. L., & Ayers, P. W. (2018). Reply to the ‘comment on “revisiting the definition of local hardness and hardness kernel”‘ by C. morell, F. guégan, W. lamine, and H. chermette,: Phys. chem. chem. phys., 2018, 20, DOI:10.1039/C7CP04100D. Physical Chemistry Chemical Physics, 20(13), 9011-9014.
DOI:10.1039/c7cp07974e

Franco-Pérez, M., Gázquez, J. L., Ayers, P. W., & Vela, A. (2018). Thermodynamic justification for the parabolic model for reactivity indicators with respect to electron number and a rigorous definition for the electrophilicity: The essential role played by the electronic entropy. Journal of Chemical Theory and Computation, 14(2), 597-606.
DOI:10.1021/acs.jctc.7b00940

Franco-Pérez, M., Gázquez, J. L., Ayers, P. W., & Vela, A. (2018). Thermodynamic dual descriptor. Wuli Huaxue Xuebao/ Acta Physico – Chimica Sinica, 34(6), 683-691.
DOI:10.3866/PKU.WHXB201801031

Franco-Pérez, M., Ayers, P. W., Gázquez, J. L., & Vela, A. (2017). Thermodynamic responses of electronic systems. Journal of Chemical Physics, 147(9).
DOI:10.1063/1.4999761

Franco-Pérez, M., Gázquez, J. L., Ayers, P. W., & Vela, A. (2017). Thermodynamic hardness and the maximum hardness principle. Journal of Chemical Physics, 147(7).
DOI:10.1063/1.4998701

Franco-Pérez, M., Polanco-Ramírez, C. -., Ayers, P. W., Gázquez, J. L., & Vela, A. (2017). New fukui, dual and hyper-dual kernels as bond reactivity descriptors. Physical Chemistry Chemical Physics, 19(24), 16095-16104.
DOI:10.1039/c7cp02613g

Galván-García, E. A., Agacino-Valdés, E., Franco-Pérez, M., & Gómez-Balderas, R. (2017). [Cu(H2O)n]2+ (n = 1–6) complexes in solution phase: A DFT hierarchical study. Theoretical Chemistry Accounts, 136(3).
DOI:10.1007/s00214-017-2056-4

Franco-Pérez, M., Ayers, P. W., Gázquez, J. L., & Vela, A. (2017). Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory. Physical Chemistry Chemical Physics, 19(21), 13687-13695.
DOI:10.1039/c7cp00692f

Franco-Pérez, M., Heidar-Zadeh, F., Ayers, P. W., Gázquez, J. L., & Vela, A. (2017). Going beyond the three-state ensemble model: The electronic chemical potential and fukui function for the general case. Physical Chemistry Chemical Physics, 19(18), 11588-11602.
DOI:10.1039/c7cp00224f

Polanco-Ramírez, C. A., Franco-Pérez, M., Carmona-Espíndola, J., Gázquez, J. L., & Ayers, P. W. (2017). Revisiting the definition of local hardness and hardness kernel. Physical Chemistry Chemical Physics, 19(19), 12355-12364.
DOI:10.1039/c7cp00691h

Franco-Pérez, M., Ayers, P. W., & Gázquez, J. L. (2016). Average electronic energy is the central quantity in conceptual chemical reactivity theory. Theoretical Chemistry Accounts, 135(8).
DOI:10.1007/s00214-016-1961-2

Heidar-Zadeh, F., Richer, M., Fias, S., Miranda-Quintana, R. A., Chan, M., Franco-Pérez, M., González-Espinoza, C. E., Kim, T. D., Lanssens, C., Patel, A. H. G., Yang, X. D., Vöhringer-Martinez, E., Cárdenas, C., Verstraelen, T., & Ayers, P. W. (2016). An explicit approach to conceptual density functional theory descriptors of arbitrary order. Chemical Physics Letters, 660, 307-312.
DOI:10.1016/j.cplett.2016.07.039