Dr. Jorge Garza Olguín
Profesor Titular C de Tiempo Completo
Investigador Nacional Nivel III
Premio a la Docencia 2016
(Semblanza presentada en la ceremonia).
Departamento de Química, UAM-Iztapalapa
Area de Fisicoquímica Teórica

Tel: (55)5804-4600 ext 3267
fax: (55)5804-4666
Lab: AT-248
 e-mail: jgo@xanum.uam.mx
twitter: @jgarzao
youtube: Prof-Jorge Garza
Datos Personales

Índice

Formación Académica

Índice

Libros

  1. Rubicelia Vargas, Ana María Martínez Vázquez y Jorge Garza. Problemas de Fisicoquímica I para Ciencias Biológicas y de la Salud.

Índice

Publicaciones en revistas de divulgación

  1. Rubicelia Vargas y Jorge Garza. La química teórica como herramienta para caracterizar puentes de hidrógeno.
    Contactos. 95, 61-68 (2015).

  2. Jorge Garza. Usando Mathematica para la evaluación de integrales bielectrónicas con orbitales hidrogenoides.
    Contactos. 81, 5-10 (2011).

  3. Jorge Garza. El impacto del supercómputo en la química cuántica.
    Revista digital universitaria. 11 (2010).

  4. Jorge Garza. Búsqueda de puntos críticos y elaboración de gráficas de funciones de varias variables con Mathematica.
    Contactos. 63, 22-27 (2007)

Índice

Publicaciones en revistas internacionales

  1. Rubicelia Vargas, Jorge Garza, Ana Martínez and Ilich A. Ibarra. Computational tools to study non-covalent interactions and confinement effects in chemical systems. Chem. Commun. In press. (2024). DOI: 10.1039/D3CC06347J

  2. Heichi Horacio Yanajara-Parra, Adalberto Corella, Francisco Adrián Duarte-Alcaraz, Rubicelia Vargas and J Garza. Electron density analysis of two-electron systems confined by prolate spheroids with hard walls. Journal of Physics Communications. 8, 025004 (2024). DOI: 10.1088/2399-6528/ad246e

  3. Jorge Gutiérrez-Flores, Eduardo H Huerta, Gabriel Cuevas, Jorge Garza, and Rubicelia Vargas. Revealing the Role of Noncovalent Interactions on the Conformation of the Methyl Group in Tricyclic Orthoamide. The Journal of Organic Chemistry. 89, 257 (2024). DOI: 10.1021/acs.joc.3c02016

  4. Luis Soriano-Agueda,Jorge Garza,José A. Guevara-García, Rubicelia Vargas. Computational study of the interaction of DNA bases with vanadium(IV) and (V) complexes derived from the anticancer VCp2Cl2. Computational and Theoretical Chemistry. 1230, 114386 (2023). DOI:10.1016/j.comptc.2023.114386

  5. Juan-José García-Miranda, Rubicelia Vargas, and Jorge Garza. Finite element method as an alternative to study the electronic structure of confined atoms. Physical Review E. 108, 035302 (2023). DOI:10.1103/PhysRevE.108.035302

  6. Michael-Adán Martínez-Sánchez, Rubicelia Vargas, Jorge Garza. Comment to the paper "Quantum mechanical effects for a hydrogen atom confined in a dielectric spherical microcavity". Chemical Physics. 574, 112040 (2023). DOI:10.1016/j.chemphys.2023.112040

  7. Erika Medel, Jorge Garza, Ilich A. Ibarra, Ana Martínez and Rubicelia Vargas. Non-covalent interactions in biocompatible platforms for drug delivery: Mg2(olsalazine) Metal-Organic Framework with phenylethylamine, dopamine and sertraline. Computational and Theoretical Chemistry. 1228, 114265 (2023). DOI:10.1016/j.comptc.2023.114265

  8. Erika Medel, Juan L. Obeso, Camilo Serrano-Fuentes, Jorge Garza, Ilich A. Ibarra, Carolina Leyva, A. Ken Inge, Ana Martínez and Rubicelia Vargas. Encapsulation of Dopamine within SU-101: Insights by computational chemistry. ChemComm. 59, 8684-8687 (2023). DOI:10.1039/D3CC02304D

  9. Bruno Landeros-Rivera, Rubicelia Vargas, Margarita Viniegra and Jorge Garza. Electron density to analyze acids and bases of Lewis: computational tools. In Chemical Reactivity Vol. 2, 313-333 (2023). DOI:10.1016/B978-0-32-390259-5.00017-2

  10. Gerardo Padilla-Bernal, Jorge Gutiérrez-Flores, Jorge Garza and Rubicelia Vargas. Non-covalent interactions in polymorphs of urea under pressure. Theoretical Chemistry Accounts. 142, 42 (2023). DOI:10.1007/s00214-023-02978-x

  11. Jennifer Cuellar, Lorena Parada-Díaz, Jorge Garza and Sol M. Mejía. A Theoretical Analysis of Interaction Energies and Intermolecular Interactions between Am-photericin B and Potential Bioconjugates Used in the Modification of Nanocarriers for Drug Delivery. Molecules 28, 2674 (2023). DOI:10.3390/molecules28062674

  12. Osvaldo Yañez, Diego Inostroza, Luis Leyva-Parra, José Solar-Encinas, J. César Cruz, Jorge Garza, Alejandro Vásquez-Espinal, Ricardo Pino-Rios, Walter Orellana, and William Tiznado. Si5-pentagonal Rings and Y-shaped Si4 building blocks in Li32Si18 System: Similarities with the crystalline Zintl phase Li12Si7. Molecular Systems Design & Engineering 8, 207 (2023). DOI:10.1039/D2ME00152G

  13. Diego Inostroza, Luis Leyva-Parra, Osvaldo Yañez, J. César Cruz, Jorge Garza, Víctor García, Venkatesan S. Thimmakondu, Maria L. Ceron, and William Tiznado. Si6C18 : A bispentalene derivative with two planar tetracoordinate carbons. International Journal of Quantum Chemistry 123, e27008 (2023). DOI: 10.1002/qua.27008

  14. Joel A. Sánchez-Badillo, Marco Gallo, José G. Rutiaga-Quiñones, Jorge Garza, and Pablo López-Albarrán. Insights on the cellulose pretreatment at room temperature by choline‐chloride‐based deep eutectic solvents: an atomistic study. Cellulose 28, 6517-6548 (2022). DOI: 10.1007/s10570-022-04671-x

  15. J. César Cruz, Jorge Garza, Takeshi Yanai, and So Hirata. Stochastic evaluation of four-component relativistic second-order many-body perturbation energies: A potentially quadratic-scaling correlation method. The Journal of Chemical Physics 156, 224102 (2022). DOI: 10.1063/5.0091973

  16. Marcos Rivera-Almazo, Emiliano Pérez-Sánchez, Eva Martínez-Ahumada, Ana Martínez, Jorge Garza, Ilich Ibarra, and Rubicelia Vargas. Isostructural MFM-300(Sc) and MFM-300(In): Adsorption Behavior to Determine their Differences. The Journal of Physical Chemistry C 126, 6465-6471 (2022). DOI: 10.1021/acs.jpcc.2c00742

  17. Luis Leyva-Parra, Diego Inostroza, Osvaldo Yañez, Julio César Cruz, Jorge Garza, Víctor García, and William Tiznado. Persistent Planar Tetracoordinate Carbon in Global Minima Structures of Silicon-Carbon Clusters. Atoms 10, 27 (2022). DOI: 10.3390/atoms10010027

  18. Joanatan-Michael Bautista-Renedo, Raymundo Hernández-Esparza, Erick Cuevas-Yañez, Horacio Reyes-Pérez, Rubicelia Vargas, Jorge Garza, and Nelly González-Rivas. Deformations of cyclodextrins and their influence to form inclusion compounds. International Journal of Quantum Chemistry 122, e26859 (2022). DOI:10.1002/qua.26859

  19. Ponciano García-Gutiérrez, Rafael A. Zubillaga, Ilich A. Ibarra, Ana Martínez, Rubicelia Vargas, and Jorge Garza. Non-conventional interactions of N3 inhibitor with the main protease of SARS-CoV and SARS-CoV-2. Computational and Structural Biotechnology Journal. 19, 4669-4675 (2021). DOI: 10.1016/j.csbj.2021.08.015

  20. Juan-José García-Miranda, Jorge Garza, Ilich A. Ibarra, Ana Martínez, Michael-Adán Martínez-Sánchez, Marcos Rivera-Almazo, Rubicelia Vargas. Electronic Structure of Systems Confined by Several Spatial Restrictions. In Chemical Reactivity in Confined Systems: Theory, Modelling and Applications. Wiley (2021).DOI: 10.1002/9781119683353.ch4

  21. Ana Martínez, Ponciano García-Gutiérrez, Rafael A. Zubillaga, Jorge Garza, and Rubicelia Vargas. Main interactions of dopamine and risperidone with the dopamine D2 receptor. Physical Chemistry Chemical Physics. 23, 14224-14230 (2021). DOI: 10.1039/D1CP01637G

  22. William Tiznado, María Fernanda Manrique De La Cuba, Luis Leiva-Parra, Diego Inostroza, Badhin Gomez, Alejandro Vásquez-Espinal, Jorge Garza, and Osvaldo Yañez. Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium-Silicon Aromatic Units. ChemPhysChem. 22, 906-910 (2021). DOI: 10.1002/cphc.202001051

  23. Michael-Adán Martínez-Sánchez, César Martínez-Flores, Rubicelia Vargas, Jorge Garza, Remigio Cabrera-Trujillo, K. D. Sen. Ionization of many-electron atoms by the action of two plasma models. Physical Review E. 103 043202 (2021). DOI: 10.1103/PhysRevE.103.043202

  24. Ibraheem Nasser, César Martínez-Flores, Mostafa Zeama, Rubicelia Vargas, Jorge Garza. Tsallis entropy: A comparative study for the 1s2-state of helium atom. Physics Letters A. 392 127136 (2021). DOI: 10.1016/j.physleta.2020.127136

  25. César Martínez-Flores, Michael-Adán Martínez-Sánchez, Rubicelia Vargas, Jorge Garza. Free-basis-set method to describe the helium atom confined by a spherical box with finite and infinite potentials. The European Physical Journal D. 75 100 (2021). DOI: 10.1140/epjd/s10053-021-00110-x

  26. Marcos Rivera-Almazo, Mariana L. Díaz-Ramírez, Raymundo Hernández-Esparza, Rubicelia Vargas, Ana Martínez, Vladimir Martis, Paola A. Sáenz-Cavazos, Daryl Williams, Enrique Lima, Ilich A. Ibarra and Jorge Garza. Identification of the preferential CO and SO2 adsorption sites within NOTT-401.
    Physical Chemistry Chemical Physics. 23 1454-1463 (2021). DOI:10.1039/D0CP04668J

  27. J. César Cruz, Ponciano García-Gutierrez, Rafael A. Zubillaga, Rubicelia Vargas and Jorge Garza. Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target.
    In Frontiers in Computational Chemistry. Volumen 5. Edited by Zaheer Ul-Haq and Angela K. Wilson. Bentham Science Publishers, 2020, pp 149-173. DOI:10.2174/9789811457791120050006

  28. NWChem developers. NWChem: Past, present, and future.
    The Journal of Chemical Physics. 152 184102 (2020). DOI:10.1063/5.0004997

  29. Joanatan-Michael Bautista-Renedo, Erick Cuevas-Yañez, Horacio Reyes-Pérez, Rubicelia Vargas, Jorge Garza, and Nelly González-Rivas. Non-covalent interactions between sertraline stereoisomers and the 2-hydroxypropyl-beta-cyclodextrin: A quantum chemistry analysis.
    RSC Advances. 10 20202-20210 (2020). DOI:10.1039/C9RA10218C

  30. Mariana L. Díaz-Ramírez, Brenda Vargas, J. Raziel Álvarez, Bruno Landeros-Rivera, Marcos Rivera-Almazo, Carlos Ramos, J. Gabriel Flores, Eriseth Morales, Rubicelia Vargas, Jorge Garza, Eduardo González-Zamora, Ana Martínez, Diego Solís-Ibarra and Ilich A. Ibarra. Fluorometric detection of iodine by MIL-53(Al)-TDC.
    Dalton Transactions. 49 6572-6577 (2020). DOI:10.1039/D0DT00945H

  31. Bruno Landeros-Rivera, Ilich A. Ibarra, Mariana Díaz, Rubicelia Vargas, Hugo Alberto Lara-García, Jorge Garza and Ana Martínez. A detailed description of the CO molecule adsorbed in InOF-1.
    Physical Chemistry Chemical Physics. 22, 7969-7974 (2020). DOI: 10.1039/D0CP00579G

  32. Michael-Adán Martínez-Sánchez, Rubicelia Vargas and Jorge Garza. Asymptotic behavior for the hydrogen atom confined by different potentials.
    In Asymptotic behavior: An overview. Editor Steve P. Riley. Publisher: NOVA Science Publishers. Abril 2020. ISBN: 978-1-53617-222-5

  33. Osvaldo Yañez, Diego Inostroza, Brandon Usuga-Acevedo, Alejandro Vásquez-Espinal, Ricardo Pino-Ríos, Mauricio Tabilo-Sepulveda, Jorge Garza, Jorge Barroso, Gabriel Merino, and William Tiznado. Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11-.
    Theoretical Chemistry Accounts. 139, 41 (2020). DOI: 10.1007/s00214-020-2548-5

  34. Osvaldo Yañez, Rodrigo Báez-Grez, Jorge Garza, Sudip Pan, Jorge Barroso, Alejandro Vásquez-Espinal, Gabriel Merino, and William Tiznado.Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] Pi-System.
    ChemPhysChem. 21, 145 (2020). DOI: 10.1002/cphc.201900998

  35. Michael-Adán Martínez-Sánchez, Rubicelia Vargas and Jorge Garza. Shannon Entropy for the Hydrogen Atom Confined by Four Different Potentials.
    Quantum Reports. 1, 208-218 (2019). DOI: 10.3390/quantum1020018

  36. Isidro Badillo-Ramírez, Bruno Landeros-Rivera, Emmanuel de la O-Cuevas, Rubicelia Vargas, Jorge Garza and José M. Saniger. Interaction of 5-S-cysteinyl-dopamine with graphene oxide: an experimental and theoretical study for the detection of a Parkinson's disease biomarker.
    New Journal of Chemistry. 43, 15861-15870 (2019). DOI: 10.1039/C9NJ03781K

  37. Rodrigo Báez-Grez, Jorge Garza, Alejandro Vásquez-Espinal, Edison Osorio, Walter A. Rabanal-León, Osvaldo Yañez and William Tiznado. Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn6Ge2Bi]3- and [(Sn6Ge2Bi)2]4- Structures
    Inorg. Chem. 58, 10057-10064 (2019). DOI: 10.1021/acs.inorgchem.9b01206

  38. Pedro Navarro-Santos, Nancy E. Rodriguez-Olalde, Marco Gallo, Rubicelia Vargas, Jorge Garza, and Pablo López-Albarrán. On the initial stages of lignin polymerization through spin-polarized density functional theory.
    Chem. Phys. Lett. 730, 289-296 (2019). DOI: 10.1016/j.cplett.2019.05.053

  39. J. César Cruz, Raymundo Hernández-Esparza, Álvaro Vázquez-Mayagoitia, Rubicelia Vargas, and Jorge Garza. Implementation of the Molecular Electrostatic Potential Over GPUs.
    Journal of Chemical Information and Modeling 59, 3120-3127(2019).DOI: 10.1021/acs.jcim.8b00951

  40. Francisco-Adrián Duarte Alcaráz, Michel-Adán Martínez-Sánchez, Marcos Rivera-Almazo, Rubicelia Vargas, Rodrigo Arturo Rosas-Burgos and Jorge Garza. Testing one-parameter hybrid exchange functionals in confined atomic systems.
    Journal of Physics B: Atomic, Molecular and Optical Physics 52, 135002 (2019). DOI: 10.1088/1361-6455/ab233b

  41. Joana Avelar, Albert Bruix, Jorge Garza, and Rubicelia Vargas. van der Waals exchange-correlation functionals over bulk and surface properties of transition metals.
    Journal of Physics: Condensed Matter. 31, 315501 (2019). DOI: 10.1088/1361-648X/ab18ea

  42. Luz Palomino-Asencio, Alfredo Ramírez-Torres, Joana Avelar, Jorge Garza, Erwin García-Hernández Functionalized graphene pieces to trap the insecticide imidacloprid: a theoretical analysis.
    Journal of Molecular Modeling. 25, 117 (2019). DOI: 10.1007/s00894-019-4016-5

  43. Raymundo Hernández-Esparza, Bruno Landeros-Rivera, Rubicelia Vargas, and Jorge Garza. Electron density analysis for the H2+ system confined by hard walls: The chemical bond under extreme conditions.
    Annalen der Physik 531, 1800476 (2019). DOI: 10.1002/andp.201800476

  44. Juan-José García, Raymundo Hernández-Esparza, Rubicelia Vargas, William Tiznado, and Jorge Garza. Formation of small clusters of NaCl dihydrate in the gas phase.
    New Journal of Chemistry. 43, 4309-4650 (2019). DOI: 10.1039/C8NJ06315J

  45. Osvaldo Yañez, Rodrigo Báez-Grez, Diego Inostroza, Walter A. Rabanal-León, Ricardo Pino-Rios, Jorge Garza, and William Tiznado. AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules.
    Journal of Chemical Theory and Computation. 15, 1463-1475 (2019). DOI: 10.1021/acs.jctc.8b00772

  46. Osvaldo Yañez, Víctor García, Jorge Garza, Walter Orellana, Alejandro Vásquez-Espinal, William Tiznado. (Li6Si5)2-5: The Smallest Cluster-Assembled Materials Based on Aromatic Si56- Rings.
    Chemistry: A European Journal. 25, 2467-2471 (2019). DOI: 10.1002/chem.201805677

  47. Alejandra Monjaraz-Rodríguez, Mariano Rodriguez-Bautista, Jorge Garza, Rafael A. Zubillaga, and Rubicelia Vargas. Coordination numbers in hydrated Cu(II) ions.
    Journal of Molecular Modeling. 24, 187 (2018). DOI: doi.org/10.1007/s00894-018-3725-5

  48. I. P. Zaragoza, Luis A. Soriano-Agueda, Raymundo Hernández-Esparza, Rubicelia Vargas, and Jorge Garza. Analyzing ZnO clusters through the density-functional-theory.
    Journal of Molecular Modeling. 24, 164 (2018). DOI: doi.org/10.1007/s00894-018-3691-y

  49. Raymundo Hernández-Esparza, Álvaro Vázquez-Mayagoitia, Luis A. Soriano-Agueda, Rubicelia Vargas, and Jorge Garza. GPUs as boosters to analyze scalar and vector fields in quantum chemistry.
    Int. J. Quantum Chem. 119, e25671 (2018). DOI: doi.org/10.1002/qua.25671

  50. Alejandra M. Navarrete-López, Marcos Rivera-Almazo, Jorge Garza, Rubicelia Vargas. Importance of one-parameter hybrid exchange- correlation functionals in band gaps of transition metal and metalloid oxides.
    Theor. Chem. Acc. 137, 36 (2018). DOI: doi.org/10.1007/s00214-018-2222-3

  51. Mariano Rodriguez-Bautista, Rubicelia Vargas, Norberto Aquino, Jorge Garza. Electron-density delocalization in many-electron atoms confined by penetrable walls: A Hartree-Fock study.
    Int. J. Quantum Chem. 118, e25571 (2018). DOI: 10.1002/qua.25571

  52. Michael-Adán Martínez-Sánchez, Norberto Aquino, Rubicelia Vargas, Jorge Garza. Exact solution for the hydrogen atom confined by a dielectric continuum and the correct basis set to study many-electron atoms under similar confinements.
    Chemical Physics Letters. 690, 14-19 (2017). DOI: 10.1016/j.cplett.2017.10.035

  53. Pablo López-Albarrán, Antonio Pizzi, Pedro Navarro-Santos, Raymundo Hernández-Esparza, Jorge Garza. Oligolignols within lignin-adhesive formulations drive their Young's modulus: A ReaxFF-MD study.
    International Journal of Adhesion and Adhesives. 78, 227-233 (2017). DOI: 10.1016/j.ijadhadh.2017.08.003

  54. Erwin García-Hernández and Jorge Garza. Reactivity Sites in Dopamine Depend on its Intramolecular Hydrogen Bond.
    J. Mex. Chem. Soc. 61, 222-228 (2017). Article.

  55. Mayra Lozano, Jorge Garza, and Marcelo Galván. Confinement effects on the spin potential of first row transition metal cations.
    Philosophical Magazine. 97 284-297 (2017).DOI: 10.1080/14786435.2016.1258498

  56. Avelino Cortés-Santiago, Alejandra M. Navarrete-López, Rubicelia Vargas and Jorge Garza. Dissociation energy for the P2S2 ring in a family of thionation reagents and the corresponding chemical reactivity of separated species: A density-functional-theory analysis.
    Journal of Physical Organic Chemistry. 30, e3624 (2017). DOI: 10.1002/poc.3624

  57. Erwin García-Hernández, Roberto Flores-Moreno, Álvaro Vázquez-Mayagoitia, Rubicelia Vargas, and Jorge Garza. Initial stage of the degradation of three common neonicotinoids: Theoretical prediction of charge transfer sites.
    New Journal of Chemistry. 41, 965-974 (2017). DOI: 10.1039/C6NJ02655A

  58. Juan-Ramón Salazar-Cano, Alfredo Guevara-García, Rubicelia Vargas, Albeiro Restrepo, and Jorge Garza. Hydrogen bonds in methane-water clusters.
    Phys. Chem. Chem. Phys.18 23508-23515 (2016) DOI: 10.1039/C6CP04086A

  59. Michael-Adán Martínez-Sánchez, Mariano Rodriguez-Bautista, Rubicelia Vargas and Jorge Garza. Solution of the Kohn-Sham equations for many-electron atoms confined by penetrable walls.
    Theor. Chem. Acc. 135 207 (2016) DOI: 10.1007/s00214-016-1968-8.

  60. Cristina Ortega-Moo, Jorge Garza and Rubicelia Vargas. The substituent effect on the antioxidant capacity of catechols and resorcinols
    Theor. Chem. Acc. 135 177 (2016) DOI: 10.1007/s00214-016-1932-7

  61. Toby D. Young, Rubicelia Vargas and Jorge Garza. A Hartree-Fock study of the confined helium atom: Local and global basis set approaches.
    Physics Letters A. 380 712-717 (2016) http://dx.doi.org/10.1016/j.physleta.2015.11.021

  62. Luis A. Soriano-Agueda, Cristina Ortega-Moo, José Antonio Guevara-García, Jorge Garza and Rubicelia Vargas. Formation of reactive oxygen species by Vanadium complexes.
    Computational and Theoretical Chemistry. 1077 99-105 (2016) http://dx.doi.org/10.1016/j.comptc.2015.11.002

  63. Lucas A. Calderón, Jorge Garza, and Juan F. Espinal. Theoretical Study of Sodium Effect on the Gasification of Carbonaceous Materials With Carbon Dioxide.
    J. Phys. Chem. A 119 12756-12766 (2015) DOI: 10.1021/acs.jpca.5b07020

  64. Mariano Rodriguez-Bautista, Cecilia Díaz-García, Alejandra M. Navarrete-López, Rubicelia Vargas, and Jorge Garza. Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior.
    The Journal of Chemical Physics. 143 034103 (2015). http://dx.doi.org/10.1063/1.4926657

  65. Avelino Cortés-Santiago, Álvaro Vázquez-Mayagoitia, Jorge M.-del Campo, Luis A. Soriano-Agueda, Rubicelia Vargas, Jorge Garza. Theoretical analysis of the S-P bond in a family of compounds that involve a P2S2 ring : role of the PBE0-1/5 exchange-correlation functional.
    Computational and Theoretical Chemistry. 1062 36-43 (2015). http://dx.doi.org/10.1016/j.comptc.2015.03.014

  66. Roberto C. Guillén-Villara, Yamileth Vargas-Álvarez, Rubicelia Vargas, Jorge Garza, Myrna H. Matus, Magali Salas-Reyes, Zaira Domínguez. Study of the oxidation mechanisms associated to new dimeric and trimeric esters of ferulic acid
    Journal of Electroanalytical Chemistry. 740 95-104 (2015).DOI:10.1016/j.jelechem.2015.01.003

  67. Raymundo Hernández-Esparza, Sol-Milena Mejía-Chica, Andy D. Zapata-Escobar, Alfredo Guevara-García, Apolinar Martínez-Melchor, Julio-M. Hernández-Pérez, Rubicelia Vargas, and Jorge Garza. Grid-Based Algorithm to Search Critical Points, in the Electron Density, Accelerated by Graphics Processing Units
    J. Comput. Chem. 35 2272-2278 (2014). DOI: 10.1002/jcc.23752

  68. Erwin García-Hernández, Cecilia Díaz-García, Rubicelia Vargas and Jorge Garza. Implementation of the electron propagator to second order on GPUs to estimate the ionization potentials of confined atoms
    J. Phys. B: At. Mol. Opt. Phys. 47 185007 (7pp) (2014). DOI:10.1088/0953-4075/47/18/185007

  69. Jorge Garza and Rubicelia Vargas. Density Functional Theory Applied on Confined Many-Electron Atoms
    In Electronic Structure of Quantum Confined Atoms and Molecules (ISBN 978-3-319-09982-8). Springer, Cham, 2014.

  70. Analilia Sánchez, Roberto C. Guillén-Villara, Rodrigo Sánchez, Rubicelia Vargas, Jorge Garza, Myrna H. Matus, Magali Salas-Reyes, Zaira Domínguez. Electrochemical Oxidation of Symmetrical Amides of Ferulic Acid in Aprotic Medium
    Electrochimica Acta 133 546-554 (2014). DOI:10.1016/j.electacta.2014.04.082

  71. Erwin García-Hernández, Cecilia Díaz-García, Rubicelia Vargas and Jorge Garza. Four-index integral transformation in many-body perturbation theory and electron propagator to second order on GPUs for confined atoms.
    AIP Conf. Proc. 1558 1528-1531 (2013). DOI:10.1063/1.4825814

  72. Javier Carmona-Espíndola, Isaís Alcalde-Segundo, Rubicelia Vargas and Jorge Garza. Many-Body Perturbation Theory to Second Order Applied on Confined Helium Like Atoms.
    In COMPUTATIONAL AND EXPERIMENTAL CHEMISTRY: Developments and applications. CRC Press, New Jersey, 2013.

  73. Hilda Santillán-Vargas, José-Zeferino Ramírez, Jorge Garza and Rubicelia Vargas. Density-Functional-Theory Study of alpha-Cyclodextrin inclusion complexes.
    Int. J. Quantum Chem. 112 3587-3593 (2012). DOI: 10.1002/qua.24225

  74. Guillermo Nieto-Malagón, Julio M. Hernández-Pérez, Rubicelia Vargas and Jorge Garza. Electrostatic potential effects of beta-cyclodextrin on optical properties of the 4-dimethyl-aminobenzonitrile.
    Int. J. Quantum Chem. 112 3552-3557 (2012). DOI: 10.1002/qua.24186

  75. Jorge Garza, Julio M. Hernández Pérez, José-Zeferino Ramírez and Rubicelia Vargas. Basis set effects on the Hartree-Fock description of confined many-electron atoms.
    Journal of Physics B: Atomic, Molecular & Optical Physics. 45, 015002-6 pages (2012). doi:10.1088/0953-4075/45/1/015002

  76. José-Zeferino Ramírez, Rubicelia Vargas and Jorge Garza. The role of conformational changes in the signal enhancement of a selective chemosensor of Pb2+.
    Physical Chemistry Chemical Physics. 14, 495-501 (2012). DOI: 10.1039/C1CP22063B

  77. Felipe Aparicio, Jorge Garza y Marcelo Galván. Application of the Active Space Self-Interaction-Correction Method to Molecular Systems
    J. Mex. Chem. Soc. 56, 338-345 (2012).Paper

  78. Avelino Cortés-Santiago, Rubicelia Vargas y Jorge Garza. Noble gases encaged by the C60 increase their chemical reactivity.
    J. Mex. Chem. Soc. 56, 270-274 (2012).Paper

  79. José Zeferino Ramírez, Rubicelia Vargas, Itzia I. Padilla-Martínez, Anaid G. Flores-Huerta and Jorge Garza. The role of the CH/Pi weak interaction in the geometrical conformation: An aromatic acetamide derivative system as an example.
    J. Mex. Chem. Soc. 56, 275-278 (2012).Paper

  80. Albert Rimola, Marta Corno, Jorge Garza and Piero Ugliengo. Ab-initio modeling of protein/biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces.
    Philosophical Transactions A. 370, 1478-1498 (2012). DOI:10.1098/rsta.2011.0236

  81. Guillermo Nieto-Malagón, Julio M. Hernández-Pérez, Rubicelia Vargas and Jorge Garza. Effect of a uniform electric field on atomic and molecular systems.
    In Theoretical and Computational Developments in Modern Density Functional Theory. Edited by A. K. Roy. Nova Science Publisers, 2012.

  82. Norberto Aquino, Jorge Garza, Germán Campoy and Alberto Vela. Energy eigenvalues for free and confined triple-well potentials.
    Rev. Mex. Fis. 57, 46-52 (2011).

  83. L. Maschio, M. Ferrabone, A. Meyer, J. Garza and R. Dovesi. The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0).
    Chem. Phys. Lett. 501, 612-618 (2011).

  84. José-Zeferino Ramírez, Rubicelia Vargas, Jorge Garza and José L. Gázquez. Simple charge transfer model for metallic complexes.
    J. Phys. Chem A. 114, 7945-7951 (2010).

  85. Álvaro Vázquez-Mayagoitia, Jorge Garza, Rubicelia Vargas, Carlos Frontana, Martín Gómez, Ignacio González and José Luis Gázquez. Simple charge transfer model for one electron oxidation and reduction processes: Describing reactive sites in benzocarbazolediones and gallates.
    Journal of Molecular Structure (TEOCHEM). 943, 59-64 (2010).

  86. Doris Guerra, Rubicelia Vargas, Patricio Fuentealba and Jorge Garza. Modeling pressure effects on the electronic properties of Ca, Sr, and Ba by the confined atoms model.
    Advances in Quantum Chemistry. 58, 1-12 (2009)

  87. Jorge Garza and Rubicelia Vargas. Comparative study between the Hartree-Fock and Kohn-Sham models for the lowest singlet and triplet states of the confined helium atom.
    Advances in Quantum Chemistry. 57, 241-254 (2009)

  88. Jorge Garza, Rubicelia Vargas and K. D. Sen. Electronic Structure in Confined Atoms.
    In Chemical Reactivity Theory: A Density Functional View. Edited by Pratim K. Chattaraj. CRC Press. 521-537 (2009)

  89. José Zeferino Ramírez, Rubicelia Vargas and Jorge Garza. The Role of the Linearity on the Hydrogen Bond in the Formamide Dimer: A BLYP, B3LYP and MP2 Study.
    J. Mex. Chem. Soc. 52, 31-35 (2008).

  90. José L. Gázquez, Jorge Garza, Rubicelia Vargas and Alberto Vela. An Exchange-Correlation Potential With Built in Discontinuity and Correct Long Range Behavior.
    CP979, Recent Developments in Physical Chemistry, 3rd Mexican Meeting on Mathematical and Experimental Physics, edited by E. Díaz-Herrera and E. Juaristi. American Institute of Physics. 11-20 (2008).

  91. Alejandra M. Navarrete-López, Jorge Garza and Rubicelia Vargas. The Kohn-Sham kinetic energy density as indicator of the electron localization: Atomic shell structure.
    J. Chem. Phys. 128, 104110-1-104110-8 (2008)

  92. Alejandra M. Navarrete-López, Jorge Garza and Rubicelia Vargas. Relationship between the critical points found by the ELF and AIM approaches in adducts with hydrogen bonds.
    J. Phys. Chem. A. 111, 11147-11152 (2007).

  93. José Luis Gázquez, Jorge Garza, Fernando D. Hinojosa and Alberto Vela. Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential.
    J. Chem. Phys. 126, 214105 (2007).

  94. José-Zeferino Ramírez, Rubicelia Vargas, Jorge Garza and Benjamin P. Hay. Performance of the Effective Core Potentials of Ca, Hg, and Pb in Complexes with Ligands Containing N and O Donor Atoms.
    J. Chem. Theory and Comput. 2, 1510-1519 (2006).

  95. Carlos Frontana, Álvaro Vázquez-Mayagoitia, Jorge Garza, Rubicelia Vargas and Ignacio González.
    Substituent Effect on a Family of Quinones in Aprotic Solvents: An Experimental and Theoretical Approach.
    J. Phys. Chem. A. 110, 9411-9419 (2006).

  96. Álvaro Vázquez-Mayagoitia, Rubicelia Vargas, Jeffrey A. Nichols, Patricio Fuentealba and Jorge Garza.
    Relationship between singlet-triplet excitation energies and the Kohn-Sham orbitals obtained with potentials that exhibit a wrong asymptotic behavior.
    Chem. Phys.Lett. 419, 207-212 (2006).

  97. Myrna H. Matus, Jorge Garza and Marcelo Galván.
    The effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane based polymers: A theoretical study.
    J. Phys. Chem. B. 110, 1172-1178 (2006).

  98. N. Aquino, Jorge Garza, A. Flores-Riveros, J. F. Rivas-Silva and K. D. Sen.
    Confined helium atom low-lying s-states analyzed through correlated Hylleraas wave functions and the Kohn-Sham model.
    J. Chem. Phys. 124, 054311 (2006). DOI: 10.1063/1.2148948

  99. Jorge Garza, Rubicelia Vargas, Andrés Cedillo, Marcelo Galván and Pratim Kumar Chattaraj.
    Comparison between the frozen core and finite differences approximations for the generalized spin-dependent global and local reactivity descriptors in small molecules.
    Theo. Chem. Accounts. 115, 257-265 (2006).

  100. Rubicelia Vargas, Jorge Garza and Andrés Cedillo.
    A 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.
    J. Phys. Chem. A 109, 8880-8892 (2005).

  101. Jorge Garza, Rubicelia Vargas, Norberto Aquino and K. D. Sen.
    DFT reactivity indices in confined many-electron atoms.
    J. Chem. Sciences. 117, 379-386 (2005.) DOI: 10.1007/BF02708341

  102. Rubicelia Vargas, Jorge Garza, Friesner, R. A., Stern, H., Benjamin P. Hay and David A. Dixon.
    Reply to Comment on "Strength of the N-H...O=C and C-H...O=C Bonds in Formamide and N-Methylacetamide Dimers"
    J. Phys. Chem. A. 109, 6991-6992 (2005).

  103. Jorge Garza, José-Zeferino Ramírez and Rubicelia Vargas.
    The role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds.
    J. Phys. Chem. A. 109, 643-651 (2005).

  104. K. D. Sen, Jorge Garza, Rubicelia Vargas and Alberto Vela.
    Effective pressure induced electronic transition in spherically confined alkali metal atoms.
    Proc. Indian Natn. Sci. Acad. 70A, 675-681 (2004).

  105. Benjamin P. Hay, Maciej Gutowski, David A. Dixon, Jorge Garza, Rubicelia Vargas, and Bruce A. Moyer.
    Structural Criteria for the Rational Design of Selective Ligands: Convergent Hydrogen Bonding Sites for the Nitrate Anion.
    J. Am. Chem. Soc. 126, 7925-7934 (2004).

  106. Myrna H. Matus, Jorge Garza and Marcelo Galván.
    Basis set effects on frontier molecular orbital energies and energy gaps: A comparative study between plane waves and localized basis functions in molecular systems.
    J. Chem. Phys. 120, 10359-10363 (2004).

  107. Jorge Garza, Rubicelia Vargas, Martín Gómez, Ignacio González, Felipe J. González.
    Theoretical and Electrochemical Study of the Quinone-Benzoic Acid adduct linked by Hydrogen Bonds.
    J. Phys. Chem. A 107, 11161-11168 (2003).

  108. Martín Gómez, Ignacio González, Felipe J. González, Rubicelia Vargas and Jorge Garza.
    The association of neutral systems linked by hydrogen bond interactions: a quantitative electrochemical approach.
    Electrochemistry Communications 5, 12-15 (2003).

  109. K. D. Sen, B. Mayer, P. C. Schmidt, Jorge Garza, Rubicelia Vargas, Alberto Vela.
    Static dipole and quadrupole polarizability of confined hydrogen atom with Z=N/3 (N=1-5).
    Int. J. Quantum. Chem. 90, 491-496 (2002). DOI: 10.1002/qua.946

  110. Rubicelia Vargas, Andrés Cedillo, Jorge Garza and Marcel o Galván
    Reactivity criteria in spin-polarized density functional theory.
    Reviews of Modern Quantum Chemistry, pag. 936-965. Edited by K. D. Sen. World Scientific. Singapore 2002.

  111. Jorge Garza, Carl A. Fahlstrom, Rubicelia Vargas, Jeffrey A. Nichols and David A. Dixon.
    Orbitals from molecular orbital and density functional theories for ionic systems.
    Reviews of Modern Quantum Chemistry, pag. 1508-1536. Edited by K. D. Sen. World Scientific. Singapore 2002.

  112. Felipe Aparicio, Jorge Garza, Andrés Cedillo, Rubicelia Vargas and Marcelo Galván
    The local multiplicative potential of the self-interaction corrected approximation.
    Reviews of Modern Quantum Chemistry, pag. 755-786. Edited by K. D. Sen. World Scientific. Singapore 2002.

  113. Rubicelia Vargas, Jorge Garza, Benjamin P. Hay and David A. Dixon.
    Conformational study of the Alanine Dipeptide at the MP2 and DFT levels.
    J. Phys. Chem. A 106, 3213 (2002).

  114. K. D. Sen, Jorge Garza, Rubicelia Vargas and Norberto Aquino.
    Static dipole polarizability of shell-confined hydrogen atom.
    Phys. Lett. A. 295, 299 (2002). DOI: 10.1016/S0375-9601(02)00148-2

  115. Arup Banerjee, K. D. Sen , Jorge Garza and Rubicelia Vargas.
    Mean excitation energy, static polarizability, and hyperpolarizability of the spherically confined hydrogen atom.
    J. Chem. Phys. 116, 4054 (2002). DOI: 10.1063/1.1449460

  116. Benjamin P. Hay, David A. Dixon, Rubicelia Vargas, Jorge Garza and Kenneth N. Raymond.
    Structural Criteria for the Rational Design of Selective Ligands. 3. Quantitative Structure-Stability Relationship for Iron (III) Complexation by Tris-Catecholamide Siderophores.
    Inorganic Chemistry 40, 3922 (2001).

  117. Rubicelia Vargas, Jorge Garza, David A. Dixon and Benjamin P. Hay.
    Conformational analysis of N-benzylformamide.
    J. of Mol. Struc. (THEOCHEM) 541, 243 (2001).

  118. Rubicelia Vargas, Jorge Garza, Friesner, R. A., Stern, H., Benjamin P. Hay, David A. Dixon.
    Strength of the N-H..O=C and C-H..O=C Bonds in Formamide and N-Methylacetamide Dimers.
    J. Phys. Chem. A 105, 4963 (2001).

  119. Rubicelia Vargas, Jorge Garza, David A. Dixon and Benjamin P. Hay
    C(sp2)-C(Aryl) Bond Rotation Barrier in N-Methylbenzamide
    J. Phys. Chem. A 105, 774 (2001).

  120. Jorge Garza, Rubicelia Vargas, Jeffrey A. Nichols and David A. Dixon.
    Orbital energy analysis with respect to LDA and self-interaction corrected exchange-only potentials.
    J. Chem. Phys. 114, 639 (2001).

  121. Jorge Garza, Jeffrey A. Nichols and David A. Dixon.
    The role of the local-multiplicative Kohn-Sham potential on the description of occupied and unoccupied orbitals.
    J. Chem. Phys. 113, 6029 (2000).

  122. Jorge Garza, Jeffrey A. Nichols and David A. Dixon.
    The optimized effective potential and the self-interaction correction in density functional theory: Application to molecules.
    J. Chem. Phys. 112, 7880 (2000).

  123. Jorge Garza, Jeffrey A. Nichols and David A. Dixon.
    The Hartree product and the description of local and global quantities in atomic systems: A study within Kohn-Sham theory.
    J. Chem. Phys. 112, 1150 (2000).

  124. Kalidas D. Sen, Jorge Garza, Rubicelia Vargas and Alberto Vela.
    Atomic Ionization Radii using Janak's Theorem.
    Chem. Phys. Lett. 325, 29 (2000). DOI: 10.1016/S0009-2614(00)00670-9

  125. Jorge Garza, Rubicelia Vargas, Alberto Vela and Kalidas D. Sen.
    Shell Structure in Free and Confined Atoms Using the Density Functional Theory.
    Jounal of Molecular Structure (THEOCHEM) 501, 183 (2000). DOI: 10.1016/S0166-1280(99)00428-5

  126. Rubicelia Vargas, Jorge Garza, David A. Dixon and Benjamin P. Hay.
    Conformational Analysis of N, N, N', N'-tetramethylsuccinamide: The role of C -H...O hydrogen bond.
    J. Phys. Chem A 104, 5115(2000).

  127. Rubicelia Vargas, Jorge Garza, David A. Dixon and Benjamin P. Hay.
    How Strong is the C-H...O=C Hydrogen Bond?
    J. Am. Chem. Soc. 122, 4750(2000).

  128. Jorge Garza, Rubicelia Vargas and Alberto Vela.
    Numerical self-consistent-field method to solve the Kohn-Sham equations in confined many-electron atoms.
    Phys. Rev. E 58, 3949 (1998). DOI: 10.1103/PhysRevE.58.3949

  129. Jorge Garza and Alberto Vela.
    Comment to ''Eigenvalue spectrum of the independent-fermion kinetic energy level''.
    Phys. Rev. A. 58, 3358 (1998). DOI:10.1103/PhysRevA.58.3358

  130. Rubicelia Vargas, Jorge Garza and Alberto Vela.
    "Replay to 'Comment to Strongly convergent method to solve one-dimensional quantum problems'".
    Phys. Rev. E56, 1283(1997).

  131. Rubicelia Vargas, Jorge Garza and Alberto Vela.
    Strongly convergent method to solve one-dimensional quantum problems.
    Phys. Rev. E53, 1954 (1996). DOI:10.1103/PhysRevE.53.1954

  132. Jorge Garza and Juvencio Robles.
    Local Hardness Revisited: Definiton and the Spin-Polarized Kohn-Sham Formulation of Density Functional Theory.
    Int. J. Quantum Chem. 49, 159 (1994). DOI:10.1002/qua.560490308

  133. Jorge Garza and Juvencio Robles.
    Density-functional-theory softness kernel.
    Phys. Rev. A47, 2680 (1993). DOI:10.1103/PhysRevA.47.2680

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