Publicaciones en revistas internacionales

  1. Global, local and non-local reactivity descriptors in conceptual density functional theory
    Paulino Zerón, Maurizio A. Pantoja-Hernández, Marco Franco-Pérez and José L. Gázquez
    Journal of Chemical Sciences (2025) 137, 116 (2025)
  2. Generalized quadratic model for charge transfer
    Angel Albavera-Mata, José L. Gázquez and Alberto Vela
    Physical Chemistry Chemical Physics 27, 11318 (2025)
  3. An elementary derivation of the “|Δμ| big is good” rule and its implications in several reactivity principles
    José L. Gázquez and Marco Franco-Pérez
    Journal of Chemical Physics 162, 174114 (2025)
  4. Constrained dipole moment density functional theory for the calculation of the charge- transfer energy in non-covalent complexes
    Eduardo Zúñiga-Rivera, Javier Carmona-Espíndola and José L. Gázquez
    Journal of Chemical Physics 162, 124104 (2025)
  5. Charge Transfer Is Promoted by Electronic Heat Exchange in Atoms and Molecules
    Marco Franco-Pérez and José L. Gázquez
    Journal of Physical Chemistry Letters 16, 2283−2294 (2025)
  6. Local and non-local chemical potential and hardness: a grand canonical ensemble approach
    Paulino Zerón, Maurizio A. Pantoja-Hernández, Marco Franco-Pérez and José L. Gázquez
    Journal of Molecular Modeling 31, 90 (2025)
  7. Charge-transfer energy through the dipole moment
    Javier Carmona-Espíndola, Anaid Flores, Joel Ireta and José L. Gázquez
    Journal of Chemical Physics 161, 234109 (2024)
  8. Temperature and external fields in conceptual density functional theory
    Marco Franco-Pérez, Farnaz Heidar-Zadeh,Paul W. Ayers, Frank De Proft,Alberto Vela, José L. Gázquez and Paul Geerlings
    Journal of Chemical Science 15, 20090 (2024)
  9. ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations
    Javier Carmona-Espíndola, Valeria García-Melgarejo, Edgar Núñez-Rojas, Samantha Mendoza, Abraham García, José L. Gázquez and José Alejandre
    Journal of Chemical Physics 161, 144103 (2024)
  10. Local and non-local descriptors of site and bond chemical reactivity of molecules
    José L. Gázquez, Paulino Zerón, Maurizio A. Pantoja-Hernández and Marco Franco-Pérez
    En “Electron Density: Concepts, Computation and DFT Applications”, Editado por P. K. Chattaraj and D. Chakraborty, Cap. 3, 35-52 (Wiley, New Jersey, 2024) (2024)
  11. Study of a smooth interpolation between Hirshfeld and iterative Hirshfeld population analyses
    Javier Carmona-Espíndola and José L. Gázquez
    Computational and Theoretical Chemistry 1229, 114335 (2023)
  12. Perturbed reactivity descriptors in the two parabolas model of fractional electron number
    Maurizio A. Pantoja-Hernández, Marco Franco-Pérez, Ramón Alain Miranda-Quintana and José L. Gázquez
    Theoretical Chemistry Accounts 142, 92 (2023)
  13. Can we predict ambident regioselectivity using the chemical hardness?
    Ramón Alain Miranda-Quintana, Alberto Vela, Frank De Proft, Marco Martínez González and José L. Gázquez
    Physical Chemistry Chemical Physics 25, 13611 (2023)
  14. Perturbed reactivity descriptors in the grand canonical ensemble
    Maurizio A. Pantoja-Hernández, Marco Franco-Pérez, Ramón Alain Miranda-Quintana and José L. Gázquez
    Molecular Physics e2199105 (2023). https://doi.org/10.1002/qua.27076 (2023)
  15. A conceptual density functional theory approach to substituent effects in fluorescence processes: The case of naphthalimide derivatives
    Alejandro Piedras, Javier Carmona-Espíndola, Rubén Arroyo and José L. Gázquez
    International Journal of Quantum Chemistry 123, e27076 (2023)
  16. Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional
    Javier Carmona-Espíndola, Anaid Flores, José L. Gázquez, Alberto Vela and S. B. Trickey
    Journal of Chemical Physics 157, 114109 (2022)
  17. Charge Transfer Models in Conceptual DFT
    Alberto Vela, José L. Gázquez and Ulises Orozco-Valencia
    En “Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory”, Editado por Shubin Liu, Cap. 11, 209-228 (Wiley, New Jersey, 2022) (2022)
  18. Finite Temperature Conceptual Density Functional Theory
    José L. Gázquez and Marco Franco-Pérez
    En “Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory”, Editado por Shubin Liu, Cap. 8, 137-160 (Wiley, New Jersey, 2022) (2022)
  19. Charge transfer excitations and constrained density functional theory
    Javier Carmona-Espíndola and José L. Gázquez
    Theoretical Chemistry Accounts 141, 1 (2022)
  20. Conceptual density functional theory in the grand canonical ensemble
    José L. Gázquez, Marco Franco-Pérez, Paul W. Ayers and Alberto Vela
    En “Chemical reactivity in confined systems: Theory, Modelling and Applications”, Editado por P. K. Chattaraj and D. Chakraborty, 191-212 (Wiley, New Jersey, 2021) (2021)
  21. Perturbation approach to constrained electron transfer in density functional theory
    Javier Carmona-Espíndola and José L. Gázquez
    Theoretical Chemistry Accounts 140, 96 (2021)
  22. Analysis of the kinetic energy functional in the generalized gradient approximation
    Héctor I. Francisco, Javier Carmona-Espíndola and José L. Gázquez
    Journal of Chemical Physics 154, 084107 (2021)
  23. Generalized Gradient Approximations with Local Parameters
    Angel Albavera-Mata, Karla Botello-Mancilla, S. B. Trickey, José L. Gázquez and Alberto Vela
    Physical Review B 102, 035129 (2020)
  24. Temperature Dependent Approach to Electronic Charge Transfer
    Marco Franco-Pérez, José L. Gázquez, Paul Ayers and Alberto Vela
    Journal of Physical Chemistry A 124, 5465-5473 (2020)
  25. Study of organic reactions using temperature dependent chemical reactivity descriptors
    Marco Franco-Pérez, Carlos A. Polanco-Ramírez, José L. Gázquez, Paul W. Ayers and Alberto Vela
    Theoretical Chemistry Accounts 139, 44 (2020)
  26. Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids
    Javier Carmona-Espíndola, Edgar Núñez-Rojas, Valeria García-Melgarejo, José L. Gázquez and José Alejandre
    Journal of Chemical Physics 152, 124116 (2020)
  27. Conceptual density functional theory: status, prospects, issues
    Paul Geerlings, Eduardo Chamorro, Pratim Kumar Chattaraj, Frank De Proft, José L. Gázquez, Shubin Liu, Christophe Morell, Alejandro Toro-Labbe, Alberto Vela, Paul Ayers
    Theoretical Chemistry Accounts 139, 36 (2020)
  28. Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional
    Javier Carmona-Espíndola, José L. Gázquez, Alberto Vela and S. B. Trickey
    Journal of Physical Chemistry A 124, 1334-1342 (2020)
  29. The Electronegativities of Pauling and Mulliken in Density Functional Theory
    Marco Franco-Pérez and José L. Gázquez
    Journal of Physical Chemistry A 123, 10065-10071 (2019)
  30. Temperature-dependent approach to chemical reactivity concepts in density functional theory
    José L. Gázquez, Marco Franco-Pérez, Paul W. Ayers, and Alberto Vela
    International Journal of Quantum Chemistry 119, e25797 (2019)
  31. Generalized gradient approximation exchange energy functional with near-best semilocal performance
    Javier Carmona-Espíndola, José L. Gázquez, Alberto Vela and S. B. Trickey
    Journal of Chemical Theory and Computation 15, 303-310 (2019)
  32. Chemical hardness: Temperature dependent definitions and reactivity principles
    Ramón Alain Miranda-Quintana, Marco Franco-Pérez, José L. Gázquez, Paul W. Ayers, and Alberto Vela
    Journal of Chemical Physics 149, 124110 (2018)
  33. Local and nonlocal counterparts of global descriptors: the cases of chemical softness and hardness
    Marco Franco-Pérez, Carlos A. Polanco-Ramírez, José L. Gázquez and Paul W. Ayers
    Journal of Molecular Modeling 24, 285 (2018)
  34. Global and local charge transfer in electron donor-acceptor complexes
    Ulises Orozco-Valencia, José L. Gázquez and Alberto Vela
    Journal of Molecular Modeling 24, 250 (2018)
  35. Local electrophilicity
    Andrés Robles, Marco Franco-Pérez, José L. Gázquez, Carlos Cárdenas, Patricio Fuentealba
    Journal of Molecular Modeling 24, 245 (2018)
  36. A Synergetic Experimental and Computational Approach Towards a Better Comprehension of Redox Reactions of N3 Dye [cis-bis(Isothiocyanato)-Ruthenium(II)-bis (2, 2’-Bipyridine- 4,4’-Dicarboxylic Acid] in Solution.
    Paulino Zerón, Javier Carmona-Espíndola, Martha M. Flores-Leonar, José L. Gázquez, Ignacio González, Carlos Amador-Bedolla, and Víctor M. Ugalde-Saldívar
    Chemistry Select 3, 7541-7547 (2018)
  37. Reply to the ‘Comment on Revisiting the definition of local hardness and hardness kernel’ by C. Morell, F. Guegan, W. Lamine, and H. Chermette. Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04100D Marco Franco-Pérez, Carlos A. Polanco-Ramírez, José L. Gázquez, and Paul W. Ayers
    Physical Chemistry Chemical Physics 20, 9011-9014 (2018)
  38. Role of Reaction Conditions in the Global and Local Two Parabolas Charge Transfer Model.
    Angel U. Orozco-Valencia, José L. Gázquez, and Alberto Vela
    Journal of Physical Chemistry A 122, 1796-1806 (2018)
  39. 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 Marco Franco-Pérez, José L. Gázquez, Paul W. Ayers and Alberto Vela
    Journal of Chemical Theory and Computation 14, 597-606 (2018)
  40. Long-range exchange limit and dispersion in pure silica zeolites
    Angel Albavera-Mata, Claudio M. Zicovich-Wilson, José L. Gázquez, S. B. Trickey and Alberto Vela
    Theoretical Chemistry Accounts 137, 26 (2018)
  41. Reactivity of Indoles through the Eyes of a Charge-Transfer Partitioning Analysis
    Angel U. Orozco-Valencia, José L. Gázquez, and Alberto Vela
    Acta Physico-Chimica Sinica 34, 692-698 (2018)
  42. Thermodynamic dual descriptor
    Marco Franco-Pérez, José L. Gázquez, Paul W. Ayers and Alberto Vela
    Acta Physico-Chimica Sinica 34, 683-691 (2018)
  43. Thermodynamic responses of electronic systems
    Marco Franco-Pérez, Paul W. Ayers, José L. Gázquez and Alberto Vela
    Journal of Chemical Physics 147, 044105 (2017)
  44. Thermodynamic hardness and the maximum hardness principle
    Marco Franco-Pérez, José L. Gázquez, Paul W. Ayers and Alberto Vela
    Journal of Chemical Physics 147, 074113 (2017)
  45. Donation and back-donation analyzed through a charge transfer model based on density functional theory
    Angel Ulises Orozco-Valencia, José L. Gázquez and Alberto Vela
    Journal of Molecular Modeling 23, 207 (2017)
  46. Global and Local Partitioning of the Charge Transferred in the Parr−Pearson Model.
    Angel U. Orozco-Valencia, José L. Gázquez and Alberto Vela
    Journal of Physical Chemistry A 121, 4019-4029 (2017)
  47. New Fukui, dual and hyper-dual kernels as bond reactivity descriptors.
    Marco Franco-Pérez, Carlos-A Polanco-Ramírez, Paul W. Ayers, José L. Gázquez and Alberto Vela
    Physical Chemistry Chemical Physics 19, 16095-16104 (2017)
  48. Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory
    Marco Franco-Pérez, Paul W. Ayers, José L. Gázquez and Alberto Vela
    Physical Chemistry Chemical Physics 19, 13687-13695 (2017)
  49. Revisiting the definition of local hardness and hardness kernel
    Carlos A. Polanco-Ramírez, Marco Franco-Pérez, Javier Carmona-Espíndola, José L. Gázquez and Paul W. Ayers
    Physical Chemistry Chemical Physics 19, 12355-12364 (2017)
  50. Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case.
    Marco Franco-Pérez, Farnaz Heidar-Zadeh, Paul W. Ayers, José L. Gázquez and Alberto Vela
    Physical Chemistry Chemical Physics 19, 11588-11602 (2017)
  51. Temperature effect in static and dynamic polarizabilities from distinct generalized gradient approximation exchange-correlation energy functionals
    Javier Carmona-Espíndola, José L. Gázquez, Alberto Vela and S. B. Trickey
    Chemical Physics Letters 664, 77-82 (2016)
  52. Intramolecular charge transfer model in fluorescence processes
    Alejandro Piedras, Badhin Gómez, Javier Carmona-Espíndola, Rubén Arroyo and José L. Gázquez
    Theoretical Chemistry Accounts 135, 243 (2016)
  53. Average electronic energy is the central quantity in conceptual chemical reactivity theory
    Marco Franco Pérez, Paul W. Ayers and José L. Gázquez
    Theoretical Chemistry Accounts 135, 199 (2016)
  54. A PW91-like exchange with a simple analytical form
    Juan C. Pacheco-Kato, Jorge M. del Campo, José L. Gázquez, S. B. Trickey and Alberto Vela
    Chemical Physics Letters 651, 268-273 (2016)
  55. Global hybrid exchange energy functional with correct asymptotic behavior of the corresponding potential
    Javier Carmona-Espíndola, José L. Gázquez, Alberto Vela and S. B. Trickey
    Theoretical Chemistry Accounts 135, 120 (2016)
  56. Local and linear chemical reactivity response functions at finite temperature in density functional theory
    Marco Franco-Pérez, Paul W. Ayers, José L. Gázquez and Alberto Vela
    Journal of Chemical Physics 143, 244117 (2015)
  57. Revisiting the definition of the electronic chemical potential, chemical hardness and softness at finite temperatures
    Marco Franco-Pérez, José L. Gázquez, Paul W. Ayers and Alberto Vela
    Journal of Chemical Physics 143, 154103 (2015)
  58. Electronic chemical response indexes at finite temperature in the canonical ensemble
    Marco Franco-Pérez, José L. Gázquez and Alberto Vela
    Journal of Chemical Physics 143, 024112 (2015)
  59. Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential
    Javier Carmona-Espíndola, José L. Gázquez, Alberto Vela and S. B. Trickey
    Journal of Chemical Physics 142, 054105 (2015)
  60. Revisiting Electroaccepting and Electrodonating Powers: proposals for Local electrophilicity and Local nucleophilicity descriptors.
    Christophe Morell, José L. Gázquez, Alberto Vela, Frédéric Guégan and Henry Chermette
    Physical Chemistry Chemical Physics 16, 26832-26842 (2014)
  61. Evaluation of hardness in Kohn-Sham theory with local density and generalized gradient approximations
    José L. Gázquez, Badhin Gómez, Fernando D. Hinojosa and Alberto Vela
    Indian Journal of Chemistry, 53A, 949-957 (2014) (2014)
  62. Local hardness equalization and the principle of maximum hardness
    José L. Gázquez, Alberto Vela and Pratim K. Chattaraj
    Journal of Chemical Physics 138, 214103 (2013)
  63. Analysis of the generalized gradient approximation for the exchange energy
    José L. Gázquez, Jorge M. del Campo, S. B. Trickey, Rodrigo J. Alvarez-Mendez, and Alberto Vela
    En Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, Editado por S.K. Ghosh and P.K. Chattaraj, 295-311 (CRC Press, Boca Ratón, 2013) (2013)
  64. The Reduced Density Gradient in Atoms
    Jorge M. del Campo, José L. Gázquez, Rodrigo J. Alvarez-Mendez and Alberto Vela
    International Journal of Quantum Chemistry 112, 3594-3598 (2012)
  65. A new meta-GGA exchange functional based on an improved constraint-based GGA
    Jorge M. del Campo, José L. Gázquez, S. B. Trickey and Alberto Vela
    Chemical Physics Letters 543, 179-183 (2012)
  66. Improved constraint satisfaction in a simple generalized gradient approximation exchange functional
    Alberto Vela, Juan C. Pacheco-Kato, José L. Gázquez, Jorge M. del Campo and S. B. Trickey
    Journal of Chemical Physics 136, 144115 (2012)
  67. Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties
    Jorge M. del Campo, José L. Gázquez, S. B. Trickey and Alberto Vela
    Journal of Chemical Physics 136, 104108 (2012)
  68. Simple Charge Transfer Model for Metallic Complexes
    José Z. Ramírez-Ramírez, Rubicelia Vargas, Jorge Garza and José L. Gázquez
    Journal of Physical Chemistry A 114, 7945-7951 (2010)
  69. Simple charge transfer model for one electron oxidation and reduction processes: Describing reactive sites in benzocarbazolediones and gallates
    Alvaro Vázquez-Mayagoitia, Jorge Garza, Rubicelia Vargas, Carlos Frontana, Martín Gómez, Ignacio González and José L. Gázquez
    Journal of Molecular Structure-Theochem 943, 59-64 (2010)
  70. Chemical reactivity concepts in density functional theory
    José L. Gázquez
    En Chemical Reactivity Theory: A Density Functional View, Editado por P. K. Chattaraj, p. 7-22 (CRC Press, Boca Ratón, 2009) (2009)
  71. Perspectives on the Density Functional Theory of Chemical Reactivity
    José L. Gázquez
    Journal of the Mexican Chemical Society 52, 3-10 (2008)
  72. Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential
    José L. Gázquez, Jorge Garza, Fernando D. Hinojosa and Alberto Vela
    Journal of Chemical Physics 126, 214105 (2007)
  73. Electrodonating and electroaccepting powers
    José L. Gázquez, Andrés Cedillo and Alberto Vela
    Journal of Physical Chemistry A 111, 1966-1970 (2007)
  74. A Quantum Chemical Study of the Inhibitive Properties of 2-Pyridyl-Azoles
    Badhin Gómez, N. V. Likhanova, M. A. Domínguez-Aguilar, R. Martínez-Palou, Alberto Vela and José L. Gázquez
    Journal of Physical Chemistry B 110, 8928-8934 (2006)
  75. Molecular fragments in density functional theory
    José L. Gázquez, Andrés Cedillo, Badhin Gómez and Alberto Vela
    Journal of Physical Chemistry A 110, 4535-4537 (2006)
  76. Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint
    Francisco Méndez, María de L. Romero and José L. Gázquez
    Journal of Chemical Sciences 117, 525-531 (2005)
  77. A hardness and softness theory of bond energies and chemical reactivity
    José L. Gázquez
    En Theoretical Organic Chemistry, Editado por C. Párkányi, Theoretical and Computational Chemistry Series 5, p. 135-152 (Elsevier, Amsterdam, 1998) (1998)
  78. Activation energies and softness additivity
    José L. Gázquez
    Journal of Physical Chemistry A 101, 8967-8969 (1997)
  79. Bond energies and hardness differences
    José L. Gázquez
    Journal of Physical Chemistry A 101, 9464-9469 (1997)
  80. The hard and soft acids and bases principle
    José L. Gázquez
    Journal of Physical Chemistry A 101, 4657-4659 (1997)
  81. On the conjoint gradient correction to the Hartree-Fock kinetic and exchange energy density functionals
    José L. Gázquez and Juvencio Robles
    International Journal of Quantum Chemistry 57, 3-6 (1996)
  82. Chemical-Reactivity of Enolate Ions: The Local Hard and Soft Acids and Bases Principle Viewpoint
    Francisco Méndez and José L. Gázquez
    Journal of the American Chemical Society 116, 9298-9301 (1994)
  83. The Hard and Soft Acids and Bases Principle - An Atoms in Molecules Viewpoint
    José L. Gázquez and Francisco Méndez
    Journal of Physical Chemistry 98, 4591-4593 (1994)
  84. The Fukui Function of An Atom in A Molecule - A Criterion to Characterize the Reactive Sites of Chemical-Species
    Francisco Méndez and José L. Gázquez
    Proceedings of the Indian Academy of Sciences-Chemical Sci 106, 183-193 (1994)
  85. Hardness Functional
    Robert G. Parr and José L. Gázquez
    Journal of Physical Chemistry 97, 3939-3940 (1993)
  86. Relationship Between Energy and Hardness Differences
    José L. Gázquez, Ana Martínez and Francisco Méndez
    Journal of Physical Chemistry 97, 4059-4063 (1993)
  87. Hardness and softness in density functional theory
    José L. Gázquez
    En Chemical Hardness, Editado por K. D. Sen y D. M. P. Mingos, Structure and Bonding 80, p. 27-43 (Springer-Verlag, Berlin, 1993) (1993)
  88. Local Softness and Chemical-Reactivity of Maleimide: Nucleophilic-Addition
    Francisco Méndez, Marcelo Galván, Andoni Garritz, Alberto Vela and José L. Gázquez
    Theochem-Journal of Molecular Structure 96, 81-86 (1992)
  89. Structural phase transitions in cesium halides
    Andrés Cedillo, Alberto Vela and José L. Gázquez
    En Density Functional Methods in Chemistry, Editado por J. K. Labanowski y J. W. Andzelm, p. 293-306 (Springer-Verlag, New York, 1991) (1991)
  90. Chemical-Reactivity in Density Functional Theory: The N-Differentiability Problem
    José L. Gázquez, Marcelo Galván and Alberto Vela
    Theochem-Journal of Molecular Structure 69, 29-38 (1990)
  91. A Relationship Between the Static Dipole Polarizability, the Global Softness, and the Fukui Function
    Alberto Vela and José L. Gázquez
    Journal of the American Chemical Society 112, 1490-1492 (1990)
  92. Static response functions in density functional theory
    José L. Gázquez, Andrés Cedillo and Alberto Vela
    Condensed Matter Theories 4, 163-167 (1989)
  93. A New Approach to 2nd Order Corrections Based on Density Functional Theory
    José L. Gázquez and Alberto Vela
    International Journal of Quantum Chemistry, 71-76 (1988) (1988)
  94. New Nonlocal Exchange-Energy Functional from A Kinetic-Energy-Density Pade- Approximant Model
    Andrés Cedillo, Juvencio Robles and José L. Gázquez
    Physical Review A 38, 1697-1701 (1988)
  95. On the Oscillatory Behavior of the Chemical-Potential of Neutral Atoms
    Alberto Vela, Marcelo Galván and José L. Gázquez
    International Journal of Quantum Chemistry, 329-335 (1988) (1988)
  96. Chemical-Reactivity in Spin-Polarized Density Functional Theory
    Marcelo Galván, Alberto Vela and José L. Gázquez
    Journal of Physical Chemistry 92, 6470-6474 (1988)
  97. Extended Huckel Parameters from Density Functional Theory
    Alberto Vela and José L. Gázquez
    Journal of Physical Chemistry 92, 5688-5693 (1988)
  98. Binding-Energies of Atoms and Ions - the Z-1 Perturbation Expansion and the Thomas- Fermi Limit
    José L. Gázquez and Alberto Vela
    Physical Review A 38, 3264-3270 (1988)
  99. Atoms and ions in the limit of large nuclear charge
    José L. Gázquez, Marcelo Galván, Elba Ortíz and Alberto Vela
    En Density Matrices and Density Functionals, Editado por R. M. Ehrdal y V. H. Smith, p. 643-662 (Reidel Publishing Company, Dordrecht, Holland, 1987) (1987)
  100. Fukui Function, Electronegativity and Hardness in the Kohn-Sham Theory
    José L. Gázquez, Alberto Vela and Marcelo Galván
    En Electronegativity, Editado por K. D. Sen y C. K. Jorgensen, Structure and Bonding 66, p. 79-97 (Springer-Verlag, Berlin, 1987) (1987)
  101. Oxygen Vacancy Model in Strong Metal Support Interaction
    Moises G. Sanchez and José L. Gázquez
    Journal of Catalysis 104, 120-135 (1987)
  102. An Exchange Energy Functional Based on the Dirac and the Fermi-Amaldi Approximations
    Andrés Cedillo, Elba Ortíz, José L. Gázquez and Juvencio Robles
    Journal of Chemical Physics 85, 7188-7192 (1986)
  103. Gradient Expansion of the Exchange Energy from An Approximate Density-Potential Relation
    Marcelo Galván and José L. Gázquez
    Journal of Chemical Physics 85, 4203-4204 (1986)
  104. Fukui Function - Spin-Density and Chemical-Reactivity
    Marcelo Galván, José L. Gázquez and Alberto Vela
    Journal of Chemical Physics 85, 2337-2338 (1986)
  105. Behavior of the Chemical-Potential of Neutral Atoms in the Limit of Large Nuclear-Charge
    José L. Gázquez, Alberto Vela and Marcelo Galván
    Physical Review Letters 56, 2606-2609 (1986)
  106. Interatomic Interactions in Density Functional Theory
    Alberto Vela, Andrés Cedillo and José L. Gázquez
    International Journal of Quantum Chemistry 29, 937-948 (1986)
  107. Thomas-Fermi Limit and Leading Corrections for Atoms and Ions
    José L. Gázquez and Elba Ortíz
    Journal of Chemical Physics 82, 5565-5570 (1985)
  108. Z-1 Perturbation Expansion and the Leading Correction to the Thomas-Fermi Energy
    Elba Ortíz and José L. Gázquez
    Physical Review A 31, 3489-3491 (1985)
  109. Simulated Transition-State for the Hartree-Fock and Hartree-Fock-Slater Methods
    José L. Gázquez, Elba Ortíz and Juvencio Robles
    Chemical Physics Letters 109, 394-397 (1984)
  110. Electronegativities and Hardnesses of Open-Shell Atoms José L. Gázquez and Elba Ortíz
    Journal of Chemical Physics 81, 2741-2748 (1984)
  111. Electron-Gas Models and Density Functional Theory
    José L. Gázquez
    En Density Functional Theory, Editado por J. Keller y J. L. Gázquez, Lecture Notes in Physics 187, p. 229-258 (Springer-Verlag, Berlin, 1983) (1983)
  112. Approximate Relativistic Calculations Within the One-Center Approximation for the Series Ch4 to Pbh4
    Arturo Aguilar-Ancona, José L. Gázquez and Jaime Keller
    Chemical Physics Letters 96, 200-203 (1983)
  113. On the Atomic Kinetic-Energy Functionals with Full Weizsacker Correction
    José L. Gázquez and Juvencio Robles
    Journal of Chemical Physics 76, 1467-1472 (1982)
  114. Statistical Atomic Models with Minimal-Basis-Set-Type Electron-Densities
    Eduardo Hernández and José L. Gázquez
    Physical Review A 25, 107-112 (1982)
  115. Charge-Transfer Complex Between Maleic-Anhydride and Pyridine
    José A. Chamizo, Guillermo Mendoza-Díaz and José L. Gázquez
    Polymer 22, 129-131 (1981)
  116. The Weizsacker Term in Density Functional Theory
    José L. Gázquez and Eduardo V. Ludeña
    Chemical Physics Letters 83, 145-148 (1981)
  117. Self-Interaction and Interelectronic Exchange in the Electron-Gas
    Model for Atoms José L. Gázquez and Elba Ortíz
    Chemical Physics Letters 77, 186-189 (1981)
  118. Local Electron-Electron Energy Density Functionals
    José L. Gázquez and Juvencio Robles
    Journal of Chemical Physics 74, 5927-5928 (1981)
  119. Self-Consistent-Field Electron-Gas Local-Spin-Density Model Including Correlation for Atoms
    Jaime Keller and José L. Gázquez
    Physical Review A 20, 1289-1291 (1979)
  120. Universal Dissociation-Energy Relationships for Diatomic-Molecules
    José L. Gázquez and Robert G. Parr
    Chemical Physics Letters 66, 419-422 (1979)
  121. Space Partitioning in Multiple-Scattering Techniques .1. Hydrogen Molecular Ion and Hydrogen Molecule
    Andoni Garritz, José L. Gázquez, Miguel Castro and Jaime Keller
    International Journal of Quantum Chemistry 15, 731-744 (1979)
  122. Electron Gas Model for Inhomogeneous Systems
    José L. Gázquez, Elba Ortíz and Jaime Keller
    International Journal of Quantum Chemistry S13, 377-385 (1979) (1979)
  123. Simple Electrostatic Models for Vibrating Unsymmetrical Triatomic-Molecules and Triatomic Ions
    José L. Gázquez, Naba K. Ray and Robert G. Parr
    Theoretica Chimica Acta 49, 1-11 (1978)
  124. Two-Parameter Statistical-Model for Atoms
    José L. Gázquez and Robert G. Parr
    Journal of Chemical Physics 68, 2323-2326 (1978)
  125. Electron-Gas Exchange for Atoms
    José L. Gázquez and Jaime Keller
    Physical Review A 16, 1358-1362 (1977)
  126. Piecewise Polynomial Electronic Wavefunctions
    José L. Gázquez and Harris J. Silverstone
    Journal of Chemical Physics 67, 1887-1898 (1977)