1. Piecewise polynomial electronic wavefunctions.

J. L. Gázquez y H. J. Silverstone

J. Chem. Phys., 67, 1887 (1977).

2. Electron gas exchange for atoms.

J. L. Gázquez y J. Keller

Phys. Rev. A, 16, 1358 (1977).

3. Two parameter statistical model for atoms.

J. L. Gázquez y R. G. Parr

J. Chem. Phys., 68, 2323 (1978).

4. Simple electrostatic models for vibrating unsymmetrical triatomic molecules and triatomic ions.

J. L. Gázquez, N. K. Ray y R. G. Parr

Theoret. Chim. Acta (Berl.), 49, 1 (1978).

5. Electron gas model for inhomogeneous systems.

J. L. Gázquez, E. Ortíz y J. Keller

Int. J. Quantum Chem., S13, 377 (1979).

6. Space partitioning in multiple scattering techniques. I. Hydrogen molecular ion and hydrogen molecule.

A. Garritz, J. L. Gázquez, M. Castro y J. Keller

Int. J. Quantum Chem., 15, 731 (1979).

7. Universal dissociation energy relationships for diatomic molecules.

J. L. Gázquez y R. G. Parr

Chem. Phys. Lett., 66, 419 (1979).

8. Self-consistent-field electron-gas local-spin-density model including correlation for atoms.

J. Keller y J. L. Gázquez

Phys. Rev. A, 20, 1289 (1979).

9. Local electron-electron energy density functionals.

J. L. Gázquez y Juvencio Robles

J. Chem. Phys., 74, 5927 (1981).

10. Self-interaction and interelectronic exchange in the electron gas model for atoms.

J. L. Gázquez y E. Ortíz

Chem. Phys. Lett., 77, 186 (1981).

11. The Weiszacker term in density functional theory.

J. L. Gázquez y E. V. Ludeña

Chem. Phys. Lett., 83, 145 (1981).

12. Charge transfer complex between maleic anhydride and pyridine.

J. A. Chamizo, G. Mendoza-Díaz y J. L. Gázquez

Polymer, 22, 129 (1981).

13. Statistical atomic models with minimal basis set type electron densities.

E. Hernández y J. L. Gázquez

Phys. Rev. A, 25, 107 (1982).

14. On the atomic kinetic energy functionals with full Weiszacker correction.

J. L. Gázquez y J. Robles

J. Chem. Phys., 76, 1467 (1982).

15. Approximate relativistic calculations within the one-center approximation for the series CH4 to PbH4.

A. Aguilar-Ancona, J. L. Gázquez y J. Keller

Chem. Phys Lett., 96, 200 (1983).

16. Electron gas model and density functional theory.

J. L. Gázquez

Lecture Notes in Physics, Density Functional Theory, Eds. J. Keller y J. L. Gázquez, Springer Verlag, Berlín, 187, 231 (1983).

17. Electronegativities and hardnesses of open shell atoms.

J. L. Gázquez y E. Ortíz

J. Chem. Phys., 81, 2741 (1984).

18. Simulated transition state for Hartree-Fock and Hartree-Fock-Slater methods.

J. L. Gázquez, E. Ortíz y J. Robles

Chem. Phys. Lett., 109, 394 (1984).

19. The Z-1 perturbation expansion and the leading correction to the Thomas-Fermi energy.

E. Ortíz y J. L. Gázquez

Phys. Rev. A, 3489 (1985).

20. Thomas-Fermi limit and leading corrections for atoms and ions.

J. L. Gázquez y E. Ortíz

J. Chem. Phys., 82, 5565 (1985).

21. Interatomic interactions in density functional theory.

A. Vela, A. Cedillo y J. L. Gázquez

Int. J. Quantum Chem., 29, 937 (1986).

22. Behavior of the chemical potential of neutral atoms in the limit of large nuclear charge.

J. L. Gázquez, A. Vela y M. Galván

Phys. Rev. Lett., 56, 2606 (1986).

23. Fukui function, spin-density and chemical reactivity.

M. Galván, J. L. Gázquez y A. Vela

J. Chem. Phys., 85, 2337 (1986).

24. Gradient expansion of the exchange energy from an approximate density-potential relation.

M. Galván y J. L. Gázquez

J. Chem. Phys., 85, 4203 (1986).

25. An exchange energy functional based on the Dirac and the Fermi-Amaldi approximations.

A. Cedillo, E. Ortíz, J. L. Gázquez y J. Robles

J. Chem. Phys., 85, 7188 (1986).

26. Oxygen vacancy model in strong-metal-support-interaction.

M. G. Sánchez y J. L. Gázquez

J. Catalysis, 104, 120 (1987).

27. Fukui function, electronegativity and hardness in the Khon-Sham theory.

J. L. Gázquez, A. Vela y M. Galván

Capítulo del libro Electronegativity, Ed. K. D. Sen, Structure and Bonding , 66, 79 (1987).

28. Atoms and ions in the limit of large nuclear charge.

J. L. Gázquez, M. Galván, E. Ortíz y A. Vela

en Density Matrices and Density Functionals, Eds. R. M. Ehrdal y V. H. Smith, Reidel Publishing Company (1987).

29. Binding energies of atoms and ions: The Z-1 perturbation expansion and the Thomas-Fermi limit.

J. L. Gázquez y A. Vela

Phys. Rev. A, 38, 3264 (1988).

30. Extended Huckel parameters from density functional theory.

A. Vela y J. L. Gázquez

J. Phys. Chem., 92, 5688 (1988).

31. Chemical reactivity in spin-polarized density functional theory.

M. Galván, A. Vela y J. L. Gázquez

J. Phys. Chem., 92, 6470 (1988).

32. On the oscillatory behavior of the chemical potential of neutral atoms.

A. Vela, M. Galván y J. L. Gázquez

Int. J. Quantum Chem., S22, 329 (1988).

33. New non-local exchange energy functional from a kinetic energy density Padé approximant model.

A. Cedillo, J. Robles y J. L. Gázquez

Phys. Rev. A, 38, 1697 (1988).

34. A new approach to second order corrections based on density functional theory.

J. L. Gázquez y A. Vela

Int. J. Quantum Chem., S22, 71 (1988).

35. Static response functions in density functional theory.

J. L. Gázquez, A. Cedillo y A. Vela

Condensed Matter Theories, 4, 163 (1989).

36. A relationship between the static dipole polarizability, the global softness and the fukui function.

A. Vela y J. L. Gázquez

J. Am. Chem. Soc., 112, 1490 ( 1990 ).

37. Chemical reactivity in density functional theory: the N-differentiability problem.

J. L. Gázquez, M. Galván y A. Vela

J. Mol. Struct. (Theochem), 210, 29(1990).

38. Structural phase transitions in cesium halides.

A. Cedillo, A. Vela y J.L. Gázquez

Density Functional Methods in Chemistry. Eds. J.K. Labanowski y J. W. Andzelm, Springer-Verlag, New York, p.293 (1991).

39. Local Softness and Chemical Reactivity of Maleimide: Nucleophilic Addition.

F. Méndez, M. Galván, A. Garritz, A. Vela y J. L. Gázquez

J. Mol. Struct. (Theochem), 277, 81 (1992).

40. Hardness and softness in density functional theory.

José L. Gázquez

Capítulo del libro Chemical Hardness, Eds. K. D. Sen y D. M. P. Mingos, Structure and Bonding, 80, 27 (1992).

41. Relationship between energy and hardness differences.

J. L. Gázquez, A. M. Martínez y F. Méndez

J. Phys. Chem., 97, 4059 (1993).

42. Hardness functional.

R. G. Parr y J. L. Gázquez

J. Phys. Chem., 97, 3939 (1993).

43. The fukui function of an atom in a molecule: A criterion to characterize the reactive sites of chemical species.

F. Méndez y J. L. Gázquez

Proc. Indian Acad. Sci. (Chem. Sci.), 106, 183 (1994).

44. The hard and soft acids and bases principle: An atoms in molecules viewpoint.

J. L. Gázquez y F. Méndez

J. Phys. Chem., 98, 4591 (1994).

45. Chemical reactivity of enolate ions: the local hard and soft acids and bases principle viewpoint.

F. Méndez y J. L. Gázquez

J. Am. Chem. Soc., 116, 9298 (1994).

46. On the conjoint gradient correction to the Hartree-Fock kinetic and exchange energy density functionals.

J. L. Gázquez y J. Robles

Int. J. Quantum Chem. 57,3 (1996).

47. The hard and soft acids and bases principle.

J. L. Gázquez

J. of Phys. Chem. A 101, 4657 (1997).

48. Bond energies and hardness differences.

J. L. Gázquez

J. of Phys. Chem. A 101, 9464 (1997).

49. Activation energies and softness additivity.

J. L. Gázquez

J. of Phys. Chem. A 101, 8967 (1997).

50. A hardness and softness theory of bond energies and chemical reactivity.

J. L. Gázquez

Theoretical Organic Chemistry, Editado por C. Párkányi, Theoretical and Computational Chemistry Series, p. 135.

51. Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint

F. Méndez, M. D. Romero y J. L. Gázquez

Journal of Chemical Sciences 117, 525-531 (2005).

52. Molecular fragments in density functional theory

J. L. Gázquez, A. Cedillo, B. Gomez y A. Vela

Journal of Physical Chemistry A 110, 4535-4537 (2006).

53. A Quantum Chemical Study of the Inhibitive Properties of 2-Pyridyl-Azoles

B. Gómez, N. V. Likhanova, M. A. Domínguez-Aguilar, R. Martínez-Palou, A. Vela y J. L. Gázquez

Journal of Physical Chemistry B 110, 8928-8934 (2006).

54. Electrodonating and electroaccepting powers

J. L. Gázquez, A. Cedillo y A. Vela

Journal of Physical Chemistry A 111, 1966-1970 (2007).

55. Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential

J. L. Gázquez, J. Garza, F. D. Hinojosa y A. Vela

Journal of Chemical Physics 126, 214105-1-214105-8 (2007).

56. Chemical reactivity concepts in density functional theory

J. L. Gázquez

En Theory of chemical reactivity, Editado por P. K. Chattaraj, en prensa (2008).

57. Perspectives on the density functional theory of chemical reactivity

J. L. Gázquez

Journal of the Mexican Chemical Society, en prensa (2008).

1. Density functional theory: Chemical reactivity and electronic structure.

J. L. Gázquez

KINAM 8, 137-151 (1987).

2. Response functions for atoms, molecules, and solids within density functional theory.

A. Vela y J. L. Gázquez

Lectures on Thermodynamics and Statistical Mechanics. XIX Winter Meeting on Statistical Physics. Eds. M. López y C. Varea, World Scientific, Singapore, págs.107-125 (1990).

3. Chemical reactivity in the framework of density functional theory.

J. L. Gázquez

American Institute of Physics, Conference Proceedings 342

CAM-94 Physics Meeting, Cancún, México 1994

Editor: A. Zepeda, págs. 140-146 (1995).

4. An Exchange-correlation potential with built-in discontinuity and correct long range behavior

J. L. Gázquez, J. Garza, R. Vargas y A. Vela

American Institute of Physics, Conference Proceedings 979

Recent Developments in Physical Chemistry

3rd Mexican Meeting on Mathematical and Experimental Physics

Editores: E. Díaz-Herrera y E. Juaristi, págs. 11-20 (2008).