New information of dopaminergic agents based on quantum chemistry calculations von Goode-Romero, Guillermo, Winnberg, Ulrika, Domínguez, Laura, Ibarra, Ilich A., Vargas, Rubicelia, Winnberg, Elisabeth, Martínez, Ana

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A quantum chemical approach representing a new perspective concerning agonist and antagonist drugs in the context of schizophrenia and Parkinson's disease von Martínez, Ana, Ibarra, Ilich A, Vargas, Rubicelia

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Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior von Rodriguez-Bautista, Mariano, Díaz-García, Cecilia, Navarrete-López, Alejandra M, Vargas, Rubicelia, Garza, Jorge

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Interactions involved in the adsorption of ethylene glycol and 2-hydroxyethoxide on the Au(111) surface: a Density Functional Theory study von Avelar, Joana, Hernández-Esparza, Raymundo, Garza, Jorge, Vargas, Rubicelia

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Free-basis-set method to describe the helium atom confined by a spherical box with finite and infinite potentials von Martínez-Flores, César, Martínez-Sánchez, Michael-Adán, Vargas, Rubicelia, Garza, Jorge

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GPUs as boosters to analyze scalar and vector fields in quantum chemistry von Hernández‐Esparza, Raymundo, Vázquez‐Mayagoitia, Álvaro, Soriano‐Agueda, Luis‐Antonio, Vargas, Rubicelia, Garza, Jorge

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Hydrogen bonds in methane-water clusters von Salazar-Cano, Juan-Ramón, Guevara-García, Alfredo, Vargas, Rubicelia, Restrepo, Albeiro, Garza, Jorge

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Substituent Effect on a Family of Quinones in Aprotic Solvents:  An Experimental and Theoretical Approach von Frontana, Carlos, Vázquez-Mayagoitia, Álvaro, Garza, Jorge, Vargas, Rubicelia, González, Ignacio

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Conformational Study of the Alanine Dipeptide at the MP2 and DFT Levels von Vargas, Rubicelia, Garza, Jorge, Hay, Benjamin P, Dixon, David A

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Koopmans-like Approximation in the Kohn−Sham Method and the Impact of the Frozen Core Approximation on the Computation of the Reactivity Parameters of the Density Functional Theory... von Vargas, Rubicelia, Garza, Jorge, Cedillo, Andrés

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van der Waals exchange-correlation functionals over bulk and surface properties of transition metals von Avelar, Joana, Bruix, Albert, Garza, Jorge, Vargas, Rubicelia

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Computational tools to study non-covalent interactions and confinement effects in chemical systems von Vargas, Rubicelia, Garza, Jorge, Martínez, Ana, Ibarra, Ilich A

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Citric acid: A promising copper scavenger von Martínez, Ana, Vargas, Rubicelia, Galano, Annia

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Óxidos nanoestructurados de metales de transición con aplicaciones en catálisis von Martín, Nancy, Viniegra, Margarita, Vargas, Rubicelia, Garza, Jorge

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Carotenoids can act as antioxidants by oxidizing the superoxide radical anion von GALANO, Annia, VARGAS, Rubicelia, MARTINEZ, Ana

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Computational study of the interaction of DNA bases with vanadium(IV) and (V) complexes derived from the anticancer VCp2Cl2 von Soriano-Agueda, Luis, Garza, Jorge, Guevara-García, José A., Vargas, Rubicelia

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Main interactions of dopamine and risperidone with the dopamine D2 receptor von Martínez, Ana, García-Gutiérrez, Ponciano, Zubillaga, Rafael A, Garza, Jorge, Vargas, Rubicelia

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Tsallis entropy: A comparative study for the 1s2-state of helium atom von Nasser, Ibraheem, Martinez-Flores, César, Zeama, Mostafa, Vargas, Rubicelia, Garza, Jorge

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Structural Criteria for the Rational Design of Selective Ligands. 3. Quantitative Structure−Stability Relationship for Iron(III) Complexation by Tris-Catecholamide Siderophores von Hay, Benjamin P, Dixon, David A, Vargas, Rubicelia, Garza, Jorge, Raymond, Kenneth N

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Electron‐density delocalization in many‐electron atoms confined by penetrable walls: A H artree– F ock study von Rodriguez‐Bautista, Mariano, Vargas, Rubicelia, Aquino, Norberto, Garza, Jorge

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