Conceptual density functional theory: status, prospects, issues von Geerlings, Paul, Chamorro, Eduardo, Chattaraj, Pratim Kumar, De Proft, Frank, Gázquez, José L., Liu, Shubin, Morell, Christophe, Toro-Labbé, Alejandro, Vela, Alberto, Ayers, Paul

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Electronegativities of Pauling and Mulliken in Density Functional Theory von Franco-Pérez, Marco, Gázquez, José L

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Electrodonating and Electroaccepting Powers von Gázquez, José L, Cedillo, Andrés, Vela, Alberto

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Role of Reaction Conditions in the Global and Local Two Parabolas Charge Transfer Model von Orozco-Valencia, Ulises, Gázquez, José L, Vela, Alberto

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Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance von Carmona-Espíndola, Javier, Gázquez, José L, Vela, Alberto, Trickey, S. B

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Charge transfer excitations and constrained density functional theory von Carmona-Espíndola, Javier, Gázquez, José L.

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Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors von Morell, Christophe, Gázquez, José L, Vela, Alberto, Guégan, Frédéric, Chermette, Henry

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Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory von Franco-Pérez, Marco, Ayers, Paul W, Gázquez, José L, Vela, Alberto

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Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional von Carmona-Espíndola, Javier, Flores, Anaid, Gázquez, José L., Vela, Alberto, Trickey, S. B.

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Perturbation approach to constrained electron transfer in density functional theory von Carmona-Espíndola, Javier, Gázquez, José L.

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Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional von Carmona-Espíndola, Javier, Gázquez, José L, Vela, Alberto, Trickey, S. B

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Global and Local Partitioning of the Charge Transferred in the Parr–Pearson Model von Orozco-Valencia, Angel Ulises, Gázquez, José L, Vela, Alberto

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Thermodynamic Justification for the Parabolic Model for Reactivity Indicators with Respect to Electron Number and a Rigorous Definition for the Electrophilicity: The Essential Role... von Franco-Pérez, Marco, Gázquez, José L, Ayers, Paul W, Vela, Alberto

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Temperature-Dependent Approach to Electronic Charge Transfer von Franco-Pérez, Marco, Gázquez, José L, Ayers, Paul W, Vela, Alberto

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Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures von Franco-Pérez, Marco, Gázquez, José L, Ayers, Paul W, Vela, Alberto

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Analysis of the kinetic energy functional in the generalized gradient approximation von Francisco, Héctor I., Carmona-Espíndola, Javier, Gázquez, José L.

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Temperature and external fields in conceptual density functional theory von Franco-Pérez, Marco, Heidar-Zadeh, Farnaz, Ayers, Paul W, De Proft, Frank, Vela, Alberto, Gázquez, José L, Geerlings, Paul

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A conceptual density functional theory approach to substituent effects in fluorescence processes: The case of naphthalimide derivatives von Piedras, Alejandro, Carmona‐Espíndola, Javier, Arroyo, Rubén, Gázquez, José L.

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Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case von Franco-Pérez, Marco, Heidar-Zadeh, Farnaz, Ayers, Paul W, Gázquez, José L, Vela, Alberto

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Can we predict ambident regioselectivity using the chemical hardness? von Miranda-Quintana, Ramón Alain, Vela, Alberto, De Proft, Frank, Martínez González, Marco, Gázquez, José L

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