| Year |
Citation |
Score |
| 2023 |
Gutiérrez-Flores J, H Huerta E, Cuevas G, Garza J, Vargas R. Revealing the Role of Noncovalent Interactions on the Conformation of the Methyl Group in Tricyclic Orthoamide. The Journal of Organic Chemistry. PMID 38100710 DOI: 10.1021/acs.joc.3c02016 |
0.612 |
|
| 2023 |
García-Miranda JJ, Vargas R, Garza J. Finite element method as an alternative to study the electronic structure of confined atoms. Physical Review. E. 108: 035302. PMID 37849191 DOI: 10.1103/PhysRevE.108.035302 |
0.642 |
|
| 2023 |
Medel E, Obeso JL, Serrano-Fuentes C, Garza J, Ibarra IA, Leyva C, Inge AK, Martínez A, Vargas R. Encapsulation of dopamine within SU-101: insights by computational chemistry. Chemical Communications (Cambridge, England). PMID 37345452 DOI: 10.1039/d3cc02304d |
0.531 |
|
| 2022 |
Cruz JC, Garza J, Yanai T, Hirata S. 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. PMID 35705393 DOI: 10.1063/5.0091973 |
0.487 |
|
| 2021 |
García-Gutiérrez P, Zubillaga RA, Ibarra IA, Martínez A, Vargas R, Garza J. Non-conventional interactions of N3 inhibitor with the main protease of SARS-CoV and SARS-CoV-2. Computational and Structural Biotechnology Journal. PMID 34401047 DOI: 10.1016/j.csbj.2021.08.015 |
0.637 |
|
| 2021 |
Martínez A, García-Gutiérrez P, Zubillaga RA, Garza J, Vargas R. Main interactions of dopamine and risperidone with the dopamine D2 receptor. Physical Chemistry Chemical Physics : Pccp. PMID 34159983 DOI: 10.1039/d1cp01637g |
0.565 |
|
| 2021 |
Martínez-Sánchez MA, Martínez-Flores C, Vargas R, Garza J, Cabrera-Trujillo R, Sen KD. Ionization of many-electron atoms by the action of two plasma models. Physical Review. E. 103: 043202. PMID 34005965 DOI: 10.1103/PhysRevE.103.043202 |
0.633 |
|
| 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 |
0.757 |
|
| 2020 |
Bautista-Renedo JM, Cuevas-Yañez E, Reyes-Pérez H, Vargas R, Garza J, González-Rivas N. Non-covalent interactions between sertraline stereoisomers and 2-hydroxypropyl-β-cyclodextrin: a quantum chemistry analysis. Rsc Advances. 10: 20202-20210. PMID 35520401 DOI: 10.1039/c9ra10218c |
0.614 |
|
| 2020 |
Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, ... ... Garza J, et al. NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102. PMID 32414274 DOI: 10.1063/5.0004997 |
0.735 |
|
| 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 |
0.619 |
|
| 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 |
0.642 |
|
| 2020 |
Bautista-Renedo J, Cuevas-Yañez E, Reyes-Pérez H, Vargas R, Garza J, González-Rivas N. Non-covalent interactions between sertraline stereoisomers and 2-hydroxypropyl-β-cyclodextrin: a quantum chemistry analysis Rsc Advances. 10: 20202-20210. DOI: 10.1039/C9Ra10218C |
0.576 |
|
| 2020 |
Yañez O, Inostroza D, Usuga-Acevedo B, Vásquez-Espinal A, Pino-Rios R, Tabilo-Sepulveda M, Garza J, Barroso J, Merino G, Tiznado W. Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11− Theoretical Chemistry Accounts. 139. DOI: 10.1007/S00214-020-2548-5 |
0.36 |
|
| 2019 |
Yañez O, Báez-Grez R, Garza J, Pan S, Barroso J, Vásquez-Espinal A, Merino G, Tiznado W. Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π-System. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31721418 DOI: 10.1002/Cphc.201900998 |
0.624 |
|
| 2019 |
Báez-Grez R, Garza J, Vásquez-Espinal A, Osorio E, Rabanal-León WA, Yañez O, Tiznado W. Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [SnGeBi] and [(SnGeBi)] Structures. Inorganic Chemistry. PMID 31287671 DOI: 10.1021/Acs.Inorgchem.9B01206 |
0.366 |
|
| 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 |
0.767 |
|
| 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 |
0.79 |
|
| 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 |
0.652 |
|
| 2019 |
Duarte-Alcaráz F, Martínez-Sánchez M, Rivera-Almazo M, Vargas R, Rosas-Burgos R, Garza J. Testing one-parameter hybrid exchange functionals in confined atomic systems Journal of Physics B. 52: 135002. DOI: 10.1088/1361-6455/Ab233B |
0.622 |
|
| 2019 |
Badillo-Ramírez I, Landeros-Rivera B, O-Cuevas Edl, Vargas R, Garza J, Saniger JM. 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. DOI: 10.1039/C9Nj03781K |
0.603 |
|
| 2019 |
García J, Hernández-Esparza R, Vargas R, Tiznado W, Garza J. Formation of small clusters of NaCl dihydrate in the gas phase New Journal of Chemistry. 43: 4342-4348. DOI: 10.1039/C8Nj06315J |
0.754 |
|
| 2019 |
Navarro-Santos P, Rodriguez-Olalde NE, Gallo M, Vargas R, Garza J, López-Albarrán P. On the initial stages of lignin polymerization through spin-polarized density functional theory Chemical Physics Letters. 730: 289-296. DOI: 10.1016/J.Cplett.2019.05.053 |
0.645 |
|
| 2019 |
Hernández‐Esparza R, Vázquez‐Mayagoitia Á, Soriano‐Agueda L, Vargas R, Garza J. GPUs as boosters to analyze scalar and vector fields in quantum chemistry International Journal of Quantum Chemistry. 119. DOI: 10.1002/Qua.25671 |
0.567 |
|
| 2019 |
Hernández‐Esparza R, Landeros‐Rivera B, Vargas R, Garza J. Electron Density Analysis for the H2+ System Confined by Hard Walls: The Chemical Bond Under Extreme Conditions Annalen Der Physik. 531: 1800476. DOI: 10.1002/Andp.201800476 |
0.632 |
|
| 2018 |
Yañez O, García V, Garza J, Orellana W, Vásquez-Espinal A, Tiznado W. (Li₆Si₅)₂-₅: The Smallest Cluster-Assembled Materials based on Aromatic Si₅⁶- Rings. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30561850 DOI: 10.1002/Chem.201805677 |
0.334 |
|
| 2018 |
Yañez O, Báez-Grez R, Inostroza D, Rabanal-León WA, Pino-Rios R, Garza J, Tiznado W. 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. PMID 30543750 DOI: 10.1021/Acs.Jctc.8B00772 |
0.362 |
|
| 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 |
0.652 |
|
| 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 |
0.777 |
|
| 2018 |
Navarrete-López AM, Rivera-Almazo M, Garza J, Vargas R. Importance of one-parameter hybrid exchange-correlation functionals in band gaps of transition metal and metalloid oxides Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-018-2222-3 |
0.629 |
|
| 2017 |
Garcı́a-Hernández E, Garza J. Reactivity Sites in Dopamine Depend on its Intramolecular Hydrogen Bond Journal of the Mexican Chemical Society. 61. DOI: 10.29356/Jmcs.V61I3.348 |
0.418 |
|
| 2017 |
Aparicio F, Garza J, Galván M. Application of the Active Space Self-Interaction-Correction Method to Molecular Systems Journal of the Mexican Chemical Society. 56. DOI: 10.29356/Jmcs.V56I3.299 |
0.35 |
|
| 2017 |
Ramírez J, Vargas R, Padilla-Martínez II, Flores-Huerta AG, Garza J. The Role of the CH/π Weak Interaction in the Geometrical Conformation: An Aromatic Acetamide Derivative System as an Example Journal of the Mexican Chemical Society. 56. DOI: 10.29356/Jmcs.V56I3.290 |
0.65 |
|
| 2017 |
Cortés-Santiago A, Vargas R, Garza J. Noble Gases Encaged by the C60 Increase Their Chemical Reactivity Revista De La Sociedad QuíMica De Mexico. 56: 270-274. DOI: 10.29356/Jmcs.V56I3.289 |
0.64 |
|
| 2017 |
García-Hernández E, Flores-Moreno R, Vázquez-Mayagoitia Á, Vargas R, Garza J. Initial stage of the degradation of three common neonicotinoids: theoretical prediction of charge transfer sites New Journal of Chemistry. 41: 965-974. DOI: 10.1039/C6Nj02655A |
0.738 |
|
| 2017 |
López-Albarrán P, Pizzi A, Navarro-Santos P, Hernández-Esparza R, Garza J. Oligolignols within lignin-adhesive formulations drive their Young's modulus: A ReaxFF-MD study International Journal of Adhesion and Adhesives. 78: 227-233. DOI: 10.1016/J.Ijadhadh.2017.08.003 |
0.772 |
|
| 2017 |
Martínez-Sánchez M, Aquino N, Vargas R, Garza J. 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. DOI: 10.1016/J.Cplett.2017.10.035 |
0.669 |
|
| 2017 |
Rodriguez-Bautista M, Vargas R, Aquino N, Garza J. Electron-density delocalization in many-electron atoms confined by penetrable walls: A Hartree-Fock study International Journal of Quantum Chemistry. 118: e25571. DOI: 10.1002/Qua.25571 |
0.643 |
|
| 2017 |
Cortés‐Santiago A, Navarrete‐López AM, Vargas R, Garza J. 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. DOI: 10.1002/Poc.3624 |
0.623 |
|
| 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 |
0.749 |
|
| 2016 |
Lozano-Espinosa M, Garza J, Galván M. Confinement effects on the spin potential of first row transition metal cations Philosophical Magazine. 97: 284-297. DOI: 10.1080/14786435.2016.1258498 |
0.315 |
|
| 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 |
0.674 |
|
| 2016 |
Soriano-Agueda L, Ortega-Moo C, Garza J, Guevara-García JA, Vargas R. Corrigendum to “Formation of reactive oxygen species by vanadium complexes [Comput. Theor. Chem. 1077 (2016) 99–105]” Computational and Theoretical Chemistry. 1090: 80-81. DOI: 10.1016/J.Comptc.2016.06.003 |
0.565 |
|
| 2016 |
Soriano-Agueda LA, Ortega-Moo C, Garza J, Guevara-García JA, Vargas R. Formation of reactive oxygen species by vanadium complexes Computational and Theoretical Chemistry. 1077: 99-105. DOI: 10.1016/J.Comptc.2015.11.002 |
0.618 |
|
| 2016 |
Martínez-Sánchez M, Rodriguez-Bautista M, Vargas R, Garza J. Solution of the Kohn–Sham equations for many-electron atoms confined by penetrable walls Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1968-8 |
0.685 |
|
| 2016 |
Ortega-Moo C, Garza J, Vargas R. The substituent effect on the antioxidant capacity of catechols and resorcinols Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1932-7 |
0.634 |
|
| 2015 |
Calderón LA, Garza J, Espinal JF. Theoretical Study of Sodium Effect on the Gasification of Carbonaceous Materials with Carbon Dioxide. The Journal of Physical Chemistry. A. 119: 12756-66. PMID 26618667 DOI: 10.1021/Acs.Jpca.5B07020 |
0.319 |
|
| 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 |
0.799 |
|
| 2015 |
Guillén-Villar RC, Vargas-Álvarez Y, Vargas R, Garza J, Matus MH, Salas-Reyes M, Domínguez Z. Study of the oxidation mechanisms associated to new dimeric and trimeric esters of ferulic acid Journal of Electroanalytical Chemistry. 740: 95-104. DOI: 10.1016/J.Jelechem.2015.01.003 |
0.755 |
|
| 2015 |
Cortés-Santiago A, Vázquez-Mayagoitia Á, del Campo JM, Soriano-Agueda LA, Vargas R, Garza J. 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. DOI: 10.1016/J.Comptc.2015.03.014 |
0.781 |
|
| 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 |
0.76 |
|
| 2014 |
García-Hernández E, Díaz-García C, Vargas R, Garza J. Implementation of the electron propagator to second order on GPUs to estimate the ionization potentials of confined atoms Journal of Physics B: Atomic, Molecular and Optical Physics. 47: 185007. DOI: 10.1088/0953-4075/47/18/185007 |
0.65 |
|
| 2014 |
Sánchez A, Guillén-Villar RC, Sánchez R, Vargas R, Garza J, Matus MH, Salas-Reyes M, Domínguez Z. Electrochemical Oxidation of Symmetrical Amides of Ferulic Acid in Aprotic Medium Electrochimica Acta. 133: 546-554. DOI: 10.1016/J.Electacta.2014.04.082 |
0.738 |
|
| 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 |
0.615 |
|
| 2012 |
Santillán-Vargas H, Ramírez J, Garza J, Vargas R. Density-functional-theory study of α-cyclodextrin inclusion complexes International Journal of Quantum Chemistry. 112: 3587-3593. DOI: 10.1002/Qua.24225 |
0.626 |
|
| 2012 |
Nieto-Malagón G, Hernández-Pérez JM, Vargas R, Garza J. Electrostatic potential effects of β-cyclodextrin on optical properties of the 4-dimethyl-aminobenzonitrile International Journal of Quantum Chemistry. 112: 3552-3557. DOI: 10.1002/Qua.24186 |
0.628 |
|
| 2011 |
Garza J, Hernández-Pérez JM, Ramírez J, Vargas R. Basis set effects on the Hartree–Fock description of confined many-electron atoms Journal of Physics B: Atomic, Molecular and Optical Physics. 45: 015002. DOI: 10.1088/0953-4075/45/1/015002 |
0.678 |
|
| 2011 |
Maschio L, Ferrabone M, Meyer A, Garza J, Dovesi R. The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0) Chemical Physics Letters. 501: 612-618. DOI: 10.1016/J.Cplett.2010.11.072 |
0.355 |
|
| 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 |
0.746 |
|
| 2010 |
Vázquez-Mayagoitia Á, Garza J, Vargas R, Frontana C, Gómez M, González I, Gázquez JL. Simple charge transfer model for one electron oxidation and reduction processes: Describing reactive sites in benzocarbazolediones and gallates Journal of Molecular Structure: Theochem. 943: 59-64. DOI: 10.1016/J.Theochem.2009.10.018 |
0.781 |
|
| 2009 |
Guerra D, Vargas R, Fuentealba P, Garza J. Modeling Pressure Effects on the Electronic Properties of Ca, Sr, and Ba by the Confined Atoms Model Advances in Quantum Chemistry. 58: 1-12. DOI: 10.1016/S0065-3276(09)00705-9 |
0.645 |
|
| 2009 |
Garza J, Vargas R. 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. DOI: 10.1016/S0065-3276(09)00611-X |
0.654 |
|
| 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 |
0.809 |
|
| 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 |
0.811 |
|
| 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 |
0.796 |
|
| 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 |
0.651 |
|
| 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+ |
0.787 |
|
| 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 |
0.72 |
|
| 2006 |
Aquino N, Garza J, Flores-Riveros A, Rivas-Silva JF, Sen KD. Confined helium atom low-lying S states analyzed through correlated Hylleraas wave functions and the Kohn-Sham model. The Journal of Chemical Physics. 124: 054311. PMID 16468873 DOI: 10.1063/1.2148948 |
0.396 |
|
| 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 |
0.783 |
|
| 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 |
0.669 |
|
| 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+ |
0.65 |
|
| 2005 |
Garza J, Vargas R, Cedillo A, Galván M, Chattaraj PK. Comparison between the frozen core and finite differences approximations for the generalized spin-dependent global and local reactivity descriptors in small molecules Theoretical Chemistry Accounts. 115: 257-265. DOI: 10.1007/S00214-005-0002-3 |
0.621 |
|
| 2005 |
Garza J, Vargas R, Aquino N, Sen KD. DFT reactivity indices in confined many-electron atoms Journal of Chemical Sciences. 117: 379-386. DOI: 10.1007/Bf02708341 |
0.665 |
|
| 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 |
0.694 |
|
| 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 |
0.699 |
|
| 2003 |
Garza J, Vargas R, Gómez M, González I, González FJ. Theoretical and Electrochemical Study of the Quinone−Benzoic Acid Adduct Linked by Hydrogen Bonds The Journal of Physical Chemistry A. 107: 11161-11168. DOI: 10.1021/Jp0351268 |
0.666 |
|
| 2003 |
Gómez M, González I, González FJ, Vargas R, Garza J. The association of neutral systems linked by hydrogen bond interactions: a quantitative electrochemical approach Electrochemistry Communications. 5: 12-15. DOI: 10.1016/S1388-2481(02)00519-2 |
0.646 |
|
| 2002 |
Banerjee A, Sen KD, Garza J, Vargas R. Mean excitation energy, static polarizability, and hyperpolarizability of the spherically confined hydrogen atom The Journal of Chemical Physics. 116: 4054-4057. DOI: 10.1063/1.1449460 |
0.649 |
|
| 2002 |
Vargas R, Garza J, Hay BP, Dixon DA. Conformational Study of the Alanine Dipeptide at the MP2 and DFT Levels The Journal of Physical Chemistry A. 106: 3213-3218. DOI: 10.1021/Jp013952F |
0.701 |
|
| 2002 |
Sen K, Garza J, Vargas R, Aquino N. Static dipole polarizability of shell-confined hydrogen atom Physics Letters A. 295: 299-304. DOI: 10.1016/S0375-9601(02)00148-2 |
0.657 |
|
| 2002 |
Sen KD, Mayer B, Schmidt PC, Garza J, Vargas R, Vela A. Static dipole and quadrupole polarizability of confined hydrogen atom withZ=N/3 (N=1-5) International Journal of Quantum Chemistry. 90: 491-496. DOI: 10.1002/Qua.946 |
0.735 |
|
| 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 |
0.66 |
|
| 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 |
0.712 |
|
| 2001 |
Vargas R, Garza J, Friesner RA, Stern H, Hay BP, Dixon DA. Strength of the N-H⋯O=C and C-H⋯O=C bonds in formamide and N-methylacetamide dimers Journal of Physical Chemistry A. 105: 4963-4968. DOI: 10.1021/Jp003888M |
0.708 |
|
| 2001 |
Vargas R, Garza J, Dixon D, Hay BP. C(sp2)−C(Aryl) Bond Rotation Barrier inN-Methylbenzamide The Journal of Physical Chemistry A. 105: 774-778. DOI: 10.1021/Jp003340F |
0.655 |
|
| 2001 |
Vargas R, Garza J, Dixon D, Hay B. Conformational analysis of N -benzylformamide Journal of Molecular Structure: Theochem. 541: 243-251. DOI: 10.1016/S0166-1280(00)00806-X |
0.684 |
|
| 2000 |
Garza J, Nichols JA, Dixon DA. The optimized effective potential and the self-interaction correction in density functional theory: Application to molecules The Journal of Chemical Physics. 112: 7880-7890. DOI: 10.1063/1.481421 |
0.519 |
|
| 2000 |
Garza J, Nichols JA, Dixon DA. The Hartree product and the description of local and global quantities in atomic systems: A study within Kohn–Sham theory The Journal of Chemical Physics. 112: 1150-1157. DOI: 10.1063/1.480669 |
0.519 |
|
| 2000 |
Garza J, Nichols JA, Dixon DA. The role of the local-multiplicative Kohn–Sham potential on the description of occupied and unoccupied orbitals The Journal of Chemical Physics. 113: 6029-6034. DOI: 10.1063/1.1308547 |
0.524 |
|
| 2000 |
Vargas R, Garza J, Dixon DA, Hay BP. Conformational Analysis ofN,N,N`,N`-Tetramethylsuccinamide: The Role of C-H···O Hydrogen Bonds Journal of Physical Chemistry A. 104: 5115-5121. DOI: 10.1021/Jp000030O |
0.695 |
|
| 2000 |
Vargas R, Garza J, Dixon DA, Hay BP. How Strong Is the Cα−H···OC Hydrogen Bond? Journal of the American Chemical Society. 122: 4750-4755. DOI: 10.1021/Ja993600A |
0.65 |
|
| 2000 |
Garza J, Vargas R, Vela A, Sen KD. Shell structure in free and confined atoms using the density functional theory Journal of Molecular Structure-Theochem. 501: 183-188. DOI: 10.1016/S0166-1280(99)00428-5 |
0.757 |
|
| 2000 |
Sen K, Garza J, Vargas R, Vela A. Atomic ionization radii using Janak's theorem Chemical Physics Letters. 325: 29-32. DOI: 10.1016/S0009-2614(00)00670-9 |
0.739 |
|
| 1998 |
Garza J, Vargas R, Vela A. Numerical self-consistent-field method to solve the Kohn-Sham equations in confined many-electron atoms Physical Review E. 58: 3949-3954. DOI: 10.1103/Physreve.58.3949 |
0.753 |
|
| 1998 |
Garza J, Vela A. Comment on “ Eigenvalue spectrum of the independent-fermion kinetic-energy kernel” Physical Review A. 58: 3358-3359. DOI: 10.1103/Physreva.58.3358 |
0.573 |
|
| 1997 |
Vargas R, Garza J, Vela A. Reply to “Comment on ‘Strongly convergent method to solve one-dimensional quantum problems’ ” Physical Review E. 56: 1283-1284. DOI: 10.1103/Physreve.56.1283 |
0.697 |
|
| 1996 |
Vargas R, Garza J, Vela A. Strongly convergent method to solve one-dimensional quantum problems. Physical Review E. 53: 1954-1963. PMID 9964458 DOI: 10.1103/Physreve.53.1954 |
0.59 |
|
| 1994 |
Garza J, Robles J. Local hardness revisited: Definition and the spin‐polarized Kohn–Sham formulation of density functional theory International Journal of Quantum Chemistry. 49: 159-169. DOI: 10.1002/Qua.560490308 |
0.324 |
|
| 1993 |
Garza J, Robles J. Density-functional-theory softness kernel Physical Review A. 47: 2680-2685. DOI: 10.1103/Physreva.47.2680 |
0.373 |
|
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