Density Functional Theory von Keller, Jaime, Gázquez, José Luis

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Oxygen vacancy model in strong metal-support interaction von Sanchez, M.G., Gazquez, J.L.

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The Hard and Soft Acids and Bases Principle von Gázquez, José L

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Relationship between energy and hardness differences von Gazquez, Jose L, Martinez, Ana, Mendez, Francisco

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A relationship between the static dipole polarizability, the global softness, and the fukui function von Vela, Alberto, Gazquez, Jose L

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The Hard and Soft Acids and Bases Principle: An Atoms in Molecules Viewpoint von Gazquez, Jose L, Mendez, Francisco

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Quantum Chemical Study of the Inhibitive Properties of 2-Pyridyl-Azoles von Gómez, Badhin, Likhanova, N. V, Domínguez-Aguilar, M. A, Martínez-Palou, R, Vela, Alberto, Gázquez, José L

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Chemical Reactivity of Enolate Ions: The Local Hard and Soft Acids and Bases Principle Viewpoint von Mendez, Francisco, Gazquez, Jose L

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Hardness functional von Parr, Robert G, Gazquez, Jose L

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Chemical reactivity in spin-polarized density functional theory von Galvan, Marcelo, Vela, Alberto, Gazquez, Jose L

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Behavior of the chemical potential of neutral atoms in the limit of large nuclear charge von GAZQUEZ, J. L, VELA, A, GALVAN, M

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Molecular Fragments in Density Functional Theory von Gázquez, José L, Cedillo, Andrés, Gómez, Badhin, Vela, Alberto

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Electronegativities and hardnesses of open shell atoms von GAZQUEZ, J. L, ORTIZ, E

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Extended Hückel parameters from density functional theory von VELA, A, GAZQUEZ, J. L

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Bond Energies and Hardness Differences von Gázquez, José L

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On the atomic kinetic energy functionals with full Weizsacker correction von Gázquez, J. L., Robles, J.

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Fukui function: spin-density and chemical reactivity von GALVAN, M, GAZQUEZ, J. L, VELA, A

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Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint von Méndez, Francisco, Romero, María De L., Gazquez, José L.

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Gradient expansion of the exchange energy from an approximate density-potential relation von GALVAN, M, GAZQUEZ, J. L

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Activation Energies and Softness Additivity von Gázquez, José L

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