Jorge Garza - Publications

Chemistry Pacific Northwest National Laboratory, USA 

27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Rivera-Almazo M, Díaz-Ramírez ML, Hernández-Esparza R, Vargas R, Martínez A, Martis V, Sáenz-Cavazos PA, Williams D, Lima E, Ibarra IA, Garza J. Identification of the preferential CO and SO adsorption sites within NOTT-401. Physical Chemistry Chemical Physics : Pccp. PMID 33399155 DOI: 10.1039/d0cp04668j  1
2020 Díaz-Ramírez ML, Vargas B, Raziel Álvarez J, Landeros-Rivera B, Rivera-Almazo M, Ramos C, Gabriel Flores J, Morales E, Vargas R, Garza J, González-Zamora E, Martínez A, Solís-Ibarra D, Ibarra IA. Fluorometric detection of iodine by MIL-53(Al)-TDC. Dalton Transactions (Cambridge, England : 2003). PMID 32338666 DOI: 10.1039/D0Dt00945H  1
2020 Landeros-Rivera B, Ibarra IA, Díaz-Ramírez ML, Vargas R, Lara-García HA, Garza J, Martínez A. A detailed description of the CO molecule adsorbed in InOF-1. Physical Chemistry Chemical Physics : Pccp. PMID 32236261 DOI: 10.1039/D0Cp00579G  1
2019 Cruz JCES, Hernandez-Esparza R, Vazquez-Mayagoitia A, Vargas R, Garza J. Implementation of the Molecular Electrostatic Potential Over GPUs. Journal of Chemical Information and Modeling. PMID 31145605 DOI: 10.1021/Acs.Jcim.8B00951  1
2019 Palomino-Asencio L, Ramírez-Torres A, Avelar J, Garza J, García-Hernández E. Functionalized graphene pieces to trap the insecticide imidacloprid: a theoretical analysis. Journal of Molecular Modeling. 25: 117. PMID 30982115 DOI: 10.1007/S00894-019-4016-5  1
2019 Avelar J, Bruix A, Garza J, Vargas R. van der Waals exchange-correlation functionals over bulk and surface properties of transition metals. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 30978711 DOI: 10.1088/1361-648X/Ab18Ea  1
2018 Monjaraz-Rodríguez A, Rodriguez-Bautista M, Garza J, Zubillaga RA, Vargas R. Coordination numbers in hydrated Cu(II) ions. Journal of Molecular Modeling. 24: 187. PMID 29968112 DOI: 10.1007/S00894-018-3725-5  1
2018 Zaragoza IP, Soriano-Agueda LA, Hernández-Esparza R, Vargas R, Garza J. Analyzing ZnO clusters through the density-functional theory. Journal of Molecular Modeling. 24: 164. PMID 29909582 DOI: 10.1007/S00894-018-3691-Y  1
2016 Salazar-Cano JR, Guevara-García A, Vargas R, Restrepo A, Garza J. Hydrogen bonds in methane-water clusters. Physical Chemistry Chemical Physics : Pccp. PMID 27492605 DOI: 10.1039/C6Cp04086A  1
2016 Young TD, Vargas R, Garza J. A Hartree-Fock study of the confined helium atom: Local and global basis set approaches Physics Letters, Section a: General, Atomic and Solid State Physics. 380: 712-717. DOI: 10.1016/J.Physleta.2015.11.021  1
2015 Rodriguez-Bautista M, Díaz-García C, Navarrete-López AM, Vargas R, Garza J. 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. PMID 26203010 DOI: 10.1063/1.4926657  1
2014 Hernández-Esparza R, Mejía-Chica SM, Zapata-Escobar AD, Guevara-García A, Martínez-Melchor A, Hernández-Pérez JM, Vargas R, Garza J. Grid-based algorithm to search critical points, in the electron density, accelerated by graphics processing units. Journal of Computational Chemistry. 35: 2272-8. PMID 25345784 DOI: 10.1002/Jcc.23752  1
2012 Ramírez JZ, Vargas R, Garza J. The role of conformational changes in the signal enhancement of a selective chemosensor of Pb2+. Physical Chemistry Chemical Physics : Pccp. 14: 495-501. PMID 22121509 DOI: 10.1039/C1Cp22063B  1
2010 Ramírez-Ramírez JZ, Vargas R, Garza J, Gázquez JL. Simple charge-transfer model for metallic complexes. The Journal of Physical Chemistry. A. 114: 7945-51. PMID 20666541 DOI: 10.1021/Jp100309C  1
2008 Navarrete-López AM, Garza J, Vargas R. The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structure. The Journal of Chemical Physics. 128: 104110. PMID 18345880 DOI: 10.1063/1.2837666  1
2007 Navarrete-López AM, Garza J, Vargas R. Relationship between the critical points found by the electron localization function and atoms in molecules approaches in adducts with hydrogen bonds. The Journal of Physical Chemistry. A. 111: 11147-52. PMID 17918813 DOI: 10.1021/Jp074592K  1
2007 Gázquez JL, Garza J, Hinojosa FD, Vela A. Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential. The Journal of Chemical Physics. 126: 214105. PMID 17567188 DOI: 10.1063/1.2741529  0.68
2006 Ramírez JZ, Vargas R, Garza J, Hay BP. Performance of the Effective Core Potentials of Ca, Hg, and Pb in Complexes with Ligands Containing N and O Donor Atoms. Journal of Chemical Theory and Computation. 2: 1510-9. PMID 26627021 DOI: 10.1021/Ct050319F  1
2006 Frontana C, Vázquez-Mayagoitia A, Garza J, Vargas R, González I. Substituent effect on a family of quinones in aprotic solvents: an experimental and theoretical approach. The Journal of Physical Chemistry. A. 110: 9411-9. PMID 16869691 DOI: 10.1021/Jp060836+  1
2006 Matus MH, Garza J, Galván M. Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study. The Journal of Physical Chemistry. B. 110: 1172-8. PMID 16471660 DOI: 10.1021/Jp053491O  0.52
2006 Vázquez-Mayagoitia A, Vargas R, Nichols JA, Fuentealba P, Garza J. Relationship between singlet-triplet excitation energies and the Kohn-Sham orbitals obtained with potentials that exhibit a wrong asymptotic behavior Chemical Physics Letters. 419: 207-212. DOI: 10.1016/J.Cplett.2005.11.075  1
2005 Vargas R, Garza J, 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. The Journal of Physical Chemistry. A. 109: 8880-92. PMID 16834292 DOI: 10.1021/Jp052111W  1
2005 Garza J, Ramírez JZ, Vargas R. Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds. The Journal of Physical Chemistry. A. 109: 643-51. PMID 16833391 DOI: 10.1021/Jp046492+  1
2004 Matus MH, Garza J, Galván M. Basis set effects on frontier molecular orbital energies and energy gaps: a comparative study between plane waves and localized basis functions in molecular systems. The Journal of Chemical Physics. 120: 10359-63. PMID 15268062 DOI: 10.1063/1.1738111  0.52
2004 Hay BP, Gutowski M, Dixon DA, Garza J, Vargas R, Moyer BA. Structural criteria for the rational design of selective ligands: convergent hydrogen bonding sites for the nitrate anion. Journal of the American Chemical Society. 126: 7925-34. PMID 15212541 DOI: 10.1021/Ja0487980  1
2001 Hay BP, Dixon DA, Vargas R, Garza J, Raymond KN. 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: 3922-35. PMID 11466050 DOI: 10.1021/Ic001380S  1
2001 Garza J, Vargas R, Nichols JA, Dixon DA. Orbital energy analysis with respect to LDA and self-interaction corrected exchange-only potentials Journal of Chemical Physics. 114: 639-651. DOI: 10.1063/1.1327269  1
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