Year |
Citation |
Score |
2022 |
Jimenez-Orozco C, Figueras M, Flórez E, Viñes F, Rodriguez JA, Illas F. Effect of nanostructuring on the interaction of CO with molybdenum carbide nanoparticles. Physical Chemistry Chemical Physics : Pccp. PMID 35770743 DOI: 10.1039/d2cp01143c |
0.362 |
|
2021 |
Koverga AA, Flórez E, Jimenez-Orozco C, Rodriguez JA. Spot the difference: hydrogen adsorption and dissociation on unsupported platinum and platinum-coated transition metal carbides. Physical Chemistry Chemical Physics : Pccp. PMID 34477186 DOI: 10.1039/d1cp02974f |
0.356 |
|
2020 |
Koverga AA, Flórez E, Dorkis L, Rodriguez JA. Promoting effect of tungsten carbide on the catalytic activity of Cu for CO reduction. Physical Chemistry Chemical Physics : Pccp. PMID 32520058 DOI: 10.1039/D0Cp00358A |
0.507 |
|
2020 |
Jimenez-Orozco C, Flórez E, Viñes F, Rodriguez JA, Illas F. Critical Hydrogen Coverage Effect on the Hydrogenation of Ethylene Catalyzed by δ-MoC(001): An Ab Initio Thermodynamic and Kinetic Study Acs Catalysis. 10: 6213-6222. DOI: 10.1021/Acscatal.0C00144 |
0.471 |
|
2020 |
Alvarez-Garcia A, Flórez E, Moreno A, Jimenez-Orozco C. CO2 activation on small Cu-Ni and Cu-Pd bimetallic clusters Molecular Catalysis. 484: 110733. DOI: 10.1016/J.Mcat.2019.110733 |
0.332 |
|
2020 |
Ramirez A, Ocampo R, Giraldo S, Padilla E, Flórez E, Acelas N. Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations Journal of Environmental Chemical Engineering. 8: 103702. DOI: 10.1016/J.Jece.2020.103702 |
0.323 |
|
2019 |
Acelas NY, Florez E, Hadad CZ, Merino G, Restrepo A. A Comprehensive Picture of the Structures, Energies, and Bonding in [SO(HO)], =1-6. The Journal of Physical Chemistry. A. PMID 31532674 DOI: 10.1021/Acs.Jpca.9B07033 |
0.378 |
|
2019 |
Jimenez-Orozco C, Flórez E, Montoya A, Rodriguez JA. Binding and activation of ethylene on tungsten carbide and platinum surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 31355380 DOI: 10.1039/C9Cp03214B |
0.48 |
|
2019 |
Koverga AA, Flórez E, Dorkis L, Rodriguez JA. CO, CO2, and H2 Interactions with (0001) and (001) Tungsten Carbide Surfaces: Importance of Carbon and Metal Sites The Journal of Physical Chemistry C. 123: 8871-8883. DOI: 10.1021/Acs.Jpcc.8B11840 |
0.535 |
|
2018 |
Florez E, Acelas N, Ramírez F, Hadad C, Restrepo A. Microsolvation of F. Physical Chemistry Chemical Physics : Pccp. 20: 8909-8916. PMID 29557483 DOI: 10.1039/C8Cp00819A |
0.332 |
|
2018 |
Acelas NY, Flórez E. Chloride adsorption on Fe- and Al-(hydr)oxide: estimation of Gibbs free energies Adsorption-Journal of the International Adsorption Society. 24: 243-248. DOI: 10.1007/S10450-018-9939-0 |
0.38 |
|
2017 |
Arias E, Florez E, Pérez-Torres JF. Algorithm based on the Thomson problem for determination of equilibrium structures of metal nanoclusters. The Journal of Chemical Physics. 146: 244107. PMID 28668051 DOI: 10.1063/1.4984049 |
0.331 |
|
2017 |
Acelas NY, Hadad C, Restrepo A, Ibarguen C, Flórez E. Adsorption of Nitrate and Bicarbonate on Fe-(Hydr)oxide. Inorganic Chemistry. PMID 28425719 DOI: 10.1021/Acs.Inorgchem.7B00513 |
0.397 |
|
2017 |
Jimenez-Orozco C, Florez E, Moreno A, Liu P, Rodriguez JA. Acetylene and Ethylene Adsorption on a β-Mo2C(100) Surface: A Periodic DFT Study on the Role of C- and Mo-Terminations for Bonding and Hydrogenation Reactions The Journal of Physical Chemistry C. 121: 19786-19795. DOI: 10.1021/Acs.Jpcc.7B05442 |
0.475 |
|
2017 |
Rodríguez-Kessler PL, Pan S, Florez E, Cabellos JL, Merino G. Structural Evolution of the Rhodium-Doped Silver Clusters AgnRh (n ≤ 15) and Their Reactivity toward NO The Journal of Physical Chemistry C. 121: 19420-19427. DOI: 10.1021/Acs.Jpcc.7B05048 |
0.423 |
|
2016 |
Jimenez-Orozco C, Florez E, Moreno A, Liu P, Rodriguez JA. Acetylene adsorption on δ-MoC(001), TiC(001) and ZrC(001) surfaces: a comprehensive periodic DFT study. Physical Chemistry Chemical Physics : Pccp. PMID 27990527 DOI: 10.1039/C6Cp07400F |
0.525 |
|
2016 |
Correa JD, Florez E, Mora-Ramos ME. Ab initio study of hydrogen chemisorption in nitrogen-doped carbon nanotubes. Physical Chemistry Chemical Physics : Pccp. 18: 25663-25670. PMID 27711503 DOI: 10.1039/C6Cp04531F |
0.366 |
|
2016 |
Moreno N, Ferraro F, Florez E, Hadad CZ, Restrepo A. Spin-Orbit Coupling Effects in AumPtn Clusters (m + n = 4). The Journal of Physical Chemistry. A. PMID 26894819 DOI: 10.1021/Acs.Jpca.5B11397 |
0.383 |
|
2016 |
Jimenez-Orozco C, Florez E, Moreno A, Liu P, Rodriguez JA. Systematic Theoretical Study of Ethylene Adsorption on δ-MoC(001), TiC(001), and ZrC(001) Surfaces The Journal of Physical Chemistry C. 120: 13531-13540. DOI: 10.1021/Acs.Jpcc.6B03106 |
0.534 |
|
2016 |
Mondal S, Osorio E, Pan S, Cabellos JL, Martínez S, Florez E, Merino G. Why CpAl–Cr(CO)5 is linear while CpIn–Cr(CO)5 is not? Understanding the structure and bonding of the CpE–Cr(CO)5 (E = Group 13 element) complexes Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1993-7 |
0.303 |
|
2016 |
Flórez E, Merino G, Cabellos JL, Ferraro F, Restrepo A, Hadad CZ. Structure and bonding in WC n (n = 2–5) clusters Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1979-5 |
0.35 |
|
2015 |
Hadad CZ, Jenkins S, Flórez E. Unusual solvation through both p-orbital lobes of a carbene carbon. The Journal of Chemical Physics. 142: 094302. PMID 25747076 DOI: 10.1063/1.4913568 |
0.343 |
|
2013 |
Osorio E, Vasquez A, Florez E, Mondragon F, Donald KJ, Tiznado W. Theoretical design of stable small aluminium-magnesium binary clusters. Physical Chemistry Chemical Physics : Pccp. 15: 2222-9. PMID 23232743 DOI: 10.1039/C2Cp42015E |
0.539 |
|
2013 |
Acelas NY, López D, Mondragón F, Tiznado W, Flórez E. Topological analysis of tetraphosphorus oxides (P4O 6+n (n = 0-4)). Journal of Molecular Modeling. 19: 2057-67. PMID 23090501 DOI: 10.1007/S00894-012-1633-7 |
0.589 |
|
2012 |
Mejía SM, Flórez E, Mondragón F. An orbital and electron density analysis of weak interactions in ethanol-water, methanol-water, ethanol and methanol small clusters. The Journal of Chemical Physics. 136: 144306. PMID 22502517 DOI: 10.1063/1.3701563 |
0.337 |
|
2011 |
Florez E, Gomez T, Rodriguez JA, Illas F. On the dissociation of molecular hydrogen by Au supported on transition metal carbides: choice of the most active support. Physical Chemistry Chemical Physics : Pccp. 13: 6865-71. PMID 21409257 DOI: 10.1039/C0Cp02882G |
0.451 |
|
2011 |
Asara GG, Feria L, Florez E, Ricart JM, Liu P, Rodriguez JA, Illas F. Theoretical study of the interaction of CO on TiC(001) and Au nanoparticles supported on TiC(001): Probing the nature of the Au/TiC interface Journal of Physical Chemistry C. 115: 22495-22504. DOI: 10.1021/Jp207770U |
0.5 |
|
2011 |
Gomez T, Florez E, Rodriguez JA, Illas F. Reactivity of Transition Metals (Pd, Pt, Cu, Ag, Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad The Journal of Physical Chemistry C. 115: 11666-11672. DOI: 10.1021/Jp2024445 |
0.388 |
|
2011 |
Rodriguez JA, Liu P, Takahashi Y, Viñes F, Feria L, Florez E, Nakamura K, Illas F. Novel Au–TiC catalysts for CO oxidation and desulfurization processes Catalysis Today. 166: 2-9. DOI: 10.1016/J.Cattod.2010.04.051 |
0.434 |
|
2010 |
Fuentealba P, Florez E, Tiznado W. Topological Analysis of the Fukui Function. Journal of Chemical Theory and Computation. 6: 1470-8. PMID 26615684 DOI: 10.1021/Ct100022W |
0.653 |
|
2010 |
Fuentealba P, Florez E, Tiznado W. Topological analysis of the Fukui function Journal of Chemical Theory and Computation. 6: 1470-1478. DOI: 10.1021/ct100022w |
0.613 |
|
2010 |
Florez E, Gomez T, Liu P, Rodriguez JA, Illas F. Hydrogenation Reactions on Au/TiC(001): Effects of AuC Interactions on the Dissociation of H2 Chemcatchem. 2: 1219-1222. DOI: 10.1002/Cctc.201000190 |
0.373 |
|
2009 |
Florez E, Viñes F, Rodriguez JA, Illas F. Adsorption and diffusion of Au atoms on the (001) surface of Ti, Zr, Hf, V, Nb, Ta, and Mo carbides. The Journal of Chemical Physics. 130: 244706. PMID 19566173 DOI: 10.1063/1.3158620 |
0.444 |
|
2009 |
Gómez T, Florez E, Rodriguez JA, Illas F. Theoretical Analysis of the Adsorption of Late Transition-Metal Atoms on the (001) Surface of Early Transition-Metal Carbides The Journal of Physical Chemistry C. 114: 1622-1626. DOI: 10.1021/JP910273Z |
0.387 |
|
2009 |
Florez E, Feria L, Viñes F, Rodriguez JA, Illas F. Effect of the Support on the Electronic Structure of Au Nanoparticles Supported on Transition Metal Carbides: Choice of the Best Substrate for Au Activation The Journal of Physical Chemistry C. 113: 19994-20001. DOI: 10.1021/JP907043G |
0.349 |
|
2009 |
Florez E, Fuentealba P. A theoretical study of alkali metal atomic clusters: From Lin to Csn (n = 2-8) International Journal of Quantum Chemistry. 109: 1080-1093. DOI: 10.1002/Qua.21906 |
0.575 |
|
2008 |
Pérez JF, Florez E, Hadad CZ, Fuentealba P, Restrepo A. Stochastic search of the quantum conformational space of small lithium and bimetallic lithium-sodium clusters. The Journal of Physical Chemistry. A. 112: 5749-55. PMID 18517180 DOI: 10.1021/Jp802176W |
0.562 |
|
2008 |
Florez E, Mondragón F, Fuentealba P, Illas F. Effect of surface site on the spin state of first-row transition metals adsorbed on MgO: Embedded cluster model and hybrid density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.075426 |
0.574 |
|
2008 |
Péreza JF, Florez E, Hadad CZ, Fuentealba P, Restrepo A. Stochastic search of the quantum conformational space of small lithium and bimetallic lithium-sodium clusters Journal of Physical Chemistry A. 112: 5749-5755. DOI: 10.1021/jp802176w |
0.482 |
|
2008 |
Florez E, Fuentealba P, Mondragón F. Chemical reactivity of oxygen vacancies on the MgO surface: Reactions with CO2, NO2 and metals Catalysis Today. 133: 216-222. DOI: 10.1016/J.Cattod.2007.12.087 |
0.568 |
|
2007 |
Florez E, Mondragón F, Truong TN, Fuentealba P. Density functional theory characterization of the formation of copper clusters on Fs and Fs + centers on a MgO surface Surface Science. 601: 656-664. DOI: 10.1016/J.Susc.2006.10.040 |
0.571 |
|
2006 |
Florez E, Mondragón F, Fuentealba P. Effect of Ni and Pd on the geometry, electronic properties, and active sites of copper clusters. The Journal of Physical Chemistry. B. 110: 13793-8. PMID 16836325 DOI: 10.1021/Jp060521U |
0.566 |
|
2006 |
Florez E, Mondragón F, Truong TN, Fuentealba P. Transition-metal atom adsorption on an Fs defect site of MgO (100) and the interaction with a hydrogen atom Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.115423 |
0.57 |
|
2006 |
Florez E, Mondragón F, Fuentealba P. Effect of Ni and Pd on the geometry, electronic properties, and active sites of copper clusters Journal of Physical Chemistry B. 110: 13793-13798. DOI: 10.1021/jp060521u |
0.525 |
|
2006 |
Wang Y, Florez E, Mondragon F, Truong TN. Effects of metal-support interactions on the electronic structures of metal atoms adsorbed on the perfect and defective MgO(1 0 0) surfaces Surface Science. 600: 1703-1713. DOI: 10.1016/J.Susc.2005.12.062 |
0.351 |
|
2005 |
Florez E, Tiznado W, Mondragón F, Fuentealba P. Theoretical study of the interaction of molecular oxygen with copper clusters. The Journal of Physical Chemistry. A. 109: 7815-21. PMID 16834159 DOI: 10.1021/Jp052245+ |
0.665 |
|
2005 |
Florez E, Tiznado W, Mondragón F, Fuentealba P. Theoretical study of the interaction of molecular oxygen with copper clusters Journal of Physical Chemistry A. 109: 7815-7821. DOI: 10.1021/jp052245+ |
0.66 |
|
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