| 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 … T Gomez, E Florez, JA Rodriguez, F Illas The Journal of Physical Chemistry C 115 (23), 11666-11672, 2011 | 95 | 2011 |
| Theoretical study of sensitizer candidates for dye-sensitized solar cells: peripheral substituted dizinc pyrazinoporphyrazine–phthalocyanine complexes X Zarate, E Schott, T Gomez, R Arratia-Pérez The Journal of Physical Chemistry A 117 (2), 430-438, 2013 | 63 | 2013 |
| Hydrogenation Reactions on Au/TiC (001): Effects of Au C Interactions on the Dissociation of H2 E Florez, T Gomez, P Liu, JA Rodriguez, F Illas ChemCatChem 2 (10), 1219-1222, 2010 | 49 | 2010 |
| Mechanical and antimicrobial polyethylene composites with CaO nanoparticles C Silva, F Bobillier, D Canales, F Antonella Sepúlveda, A Cament, ... Polymers 12 (9), 2132, 2020 | 46 | 2020 |
| Photocatalytic inhibition of bacteria by TiO2 nanotubes-doped polyethylene composites D Yanez, S Guerrero, I Lieberwirth, MT Ulloa, T Gomez, FM Rabagliati, ... Applied Catalysis A: General 489, 255-261, 2015 | 46 | 2015 |
| Computing the Fukui function in solid-state chemistry: application to alkaline earth oxides bulk and surfaces ML Cerón, T Gomez, M Calatayud, C Cárdenas The Journal of Physical Chemistry A 124 (14), 2826-2833, 2020 | 34 | 2020 |
| Theoretical analysis of the adsorption of late transition-metal atoms on the (001) surface of early transition-metal carbides T Gomez, E Florez, JA Rodriguez, F Illas The Journal of Physical Chemistry C 114 (3), 1622-1626, 2010 | 33 | 2010 |
| Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2 T Gomez, G Hermann, X Zarate, JF Pérez-Torres, JC Tremblay Molecules 20 (8), 13830-13853, 2015 | 31 | 2015 |
| On the dissociation of molecular hydrogen by Au supported on transition metal carbides: choice of the most active support E Florez, T Gomez, JA Rodriguez, F Illas Physical Chemistry Chemical Physics 13 (15), 6865-6871, 2011 | 31 | 2011 |
| Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles RA Miranda-Quintana, F Heidar-Zadeh, S Fias, AEA Chapman, S Liu, ... Frontiers in Chemistry 10, 929464, 2022 | 29 | 2022 |
| On the prediction of lattice energy with the fukui potential: some supports on hardness maximization in inorganic solids S Kaya, A Robles-Navarro, E Mejía, T Gómez, C Cardenas The Journal of Physical Chemistry A 126 (27), 4507-4516, 2022 | 24 | 2022 |
| Simulation of natural dyes adsorbed on TiO2 for photovoltaic applications T Gomez, F Jaramillo, E Schott, R Arratia-Pérez, X Zarate Solar Energy 142, 215-223, 2017 | 20 | 2017 |
| Electron localization function in excited states: the case of the ultrafast proton transfer of the salicylidene methylamine B Maulen, A Echeverri, T Gomez, P Fuentealba, C Cardenas Journal of Chemical Theory and Computation 15 (10), 5532-5542, 2019 | 18 | 2019 |
| Molecular interactions from the density functional theory for chemical reactivity: The interaction energy between two-reagents RA Miranda-Quintana, F Heidar-Zadeh, S Fias, AEA Chapman, S Liu, ... Frontiers in Chemistry 10, 906674, 2022 | 17 | 2022 |
| Exploring the relevance of thiophene rings as bridge unit in acceptor‐bridge‐donor dyes on self‐aggregation and performance in DSSCs X Zarate, M Saavedra‐Torres, A Rodriguez‐Serrano, T Gomez, E Schott Journal of Computational Chemistry 39 (11), 685-698, 2018 | 17 | 2018 |
| Understanding Chemical Reactivity in Extended Systems: Exploring C Carlos, M Macarena, C Julia, WA Paul, G Tatiana, F Patricio Acta Physico-Chimica Sinca 34 (6), 631-638, 2018 | 15* | 2018 |
| Role of the main adsorption modes in the interaction of the dye [COOH–TPP-Zn (ii)] on a periodic TiO 2 slab exposing a rutile (110) surface in a dye-sentized solar cell T Gomez, X Zarate, E Schott, R Arratia-Perez RSC Advances 4 (19), 9639-9646, 2014 | 15 | 2014 |
| Links among the Fukui potential, the alchemical hardness and the local hardness of an atom in a molecule T Gómez, P Fuentealba, A Robles‐Navarro, C Cárdenas Journal of Computational Chemistry 42 (23), 1681-1688, 2021 | 13 | 2021 |
| Theoretical analysis of the adsorption of ammonia–borane and their dehydrogenation products on the (001) surface of TiC and ZrC A Echeverri, C Cárdenas, M Calatayud, CZ Hadad, T Gomez Surface Science 680, 95-106, 2019 | 13 | 2019 |
| Surface on Surface. Survey of the Monolayer Gold–Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations A Muñoz-Castro, T Gomez, DML Carey, S Miranda-Rojas, F Mendizabal, ... The Journal of Physical Chemistry C 120 (13), 7358-7364, 2016 | 13 | 2016 |
Carlos CardenasProfessor, Universidad de ChileE-mailová adresa ověřena na: uchile.cl
