Publications
2022
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84. Adsorption of Pollutants | Acetylsalicylic acid interaction with Boron nitride nanostructures - A density functional analysis
M. C. Flores Bautista, D. Cortes Arriagada, E. Shakerzadeh, E. Chigo-Anota. J. Mol. Liq. 355 (2022) 118980. DOI: 10.1016/j.molliq.2022.118980. |
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83. Organometallics | Chiral 1D metal-organic materials based on Cu(II) and amino acid Schiff-bases
C. Cruz Herrera; C. Gonzales; F. Rubio; J. Erices; K. Wrighton; D. Cortés-Arriagada; D. Venegas-Yazigi; N. Audebrand; V. Paredes-García*. Cryst. Growth Des. 22 (2022) 237-250. DOI: 10.1021/acs.cgd.1c00877. |
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2021
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82. Catalysis | Neutral and Cationic Methallyl Nickel Complexes in Alkene Activation: A Combined DFT, ESI-MS and Chemometric Approach
O.S. Trofymchuk, D.E. Ortega, D. Cortés-Arriagada, A. Pereira, C.G. Daniliuc, C.F. Klitzke, L.S. Santos, R.S. Rojas Catalysis Science & Technology 11 (2021) 7475-7485. DOI: 10.1039/D1CY01595H. |
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81. Intermolecular Interactions in Materials | Enhancing the ElectrocatalyticActivity of Fe Phthalocyanines for Oxygen Reduction by the Presence of Axial Ligands: Pyridine-functionalized Single-Walled Carbon Nanotubes
M. P. Oyarzún, N. Silva, D. Cortés-Arriagada, J. Francisco Silva, M. Flores, K. Tammeveski, D. Bélanger, A. Zitolo, F. Jaouen, J. H. Zagal. Electrochimica Acta 398 (2021) 139263. DOI: 10.1016/j.electacta.2021.139263. |
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80. Adsorption of Pollutants | High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study
D. Cortés-Arriagada* J. Mol. Liq. 341 (2021) 117465. DOI: 10.1016/j.molliq.2021.117465. Pre-print: 10.33774/chemrxiv-2021-lmst6. |
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79. Adsorption of Pollutants | Effective removal of water-soluble methylated arsenic contaminants with phosphorene oxide nanoflakes: A DFT study
K. Wrighton Araneda, D.E. Ortega, D. Cortés-Arriagada* J. Mol. Liq. 341 (2021) 117423. DOI: 10.1016/j.molliq.2021.117423. Pre-print: 10.26434/chemrxiv.14763075.v1. |
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78. Adsorption of Pollutants | Removal of water-soluble arsenicals with phosphorene oxide nanoadsorbents: A first principles study
K. Wrighton-Araneda, D. Cortes-Arriagada* Chemical Engineering Journal 426 (2021) 131471. DOI: 10.1016/j.cej.2021.131471 Pre-Print: 10.26434/chemrxiv.14447982.v1 |
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77. Macrocyclic Compounds | Functionalized Porphyrins from meso-poly-halogen-alkyl-dipyrromethanes: Synthesis and Characterizations
P-G. Julliard, S. Pascal, O. Siri, D. Cortes-Arriagada, L. Sanhueza, G. Canard Comptes Rendus Chimie 24 (2021) 1-19. DOI: 10.5802/crchim.97. |
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76. Intermolecular Interactions in Materials | Fullerene–Phosphorene–nanoflake nanostructures: Modulation of their interaction mechanisms and electronic properties through the size of carbon fullerenes
D. Cortes-Arriagada*, D.E. Ortega Carbon 182 (2021) 354-365. DOI: 10.1016/j.carbon.2021.06.036. Pre-print: https://doi.org/10.26434/chemrxiv.14410967.v1. |
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75. Intermolecular Interactions in Materials | 2-Mercaptobenzothiazole modified carbon paste electrode as a novel copper sensor: an electrochemical and computational study
J. M. Flores-Álvarez; D. Cortés-Arriagada; J. Reyes-Gómez; Z. Gómez-Sandoval; J. C. Rojas-Montes; K. Pineda-Urbina. J. Electroanal. Chem. 888 (2021) 115208. DOI: 10.1016/j.jelechem.2021.115208 |
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74. Intermolecular Interactions in Materials | First-principles study of hybrid nanostructures formed by deposited phthalocyanine/porphyrin metal complexes on phosphorene
D. Cortés-Arriagada, S. Miranda-Rojas, F. Cid-Mora, A. Toro-Labbé. J. Mol. Liq., 333 (2021) 115948. DOI: 10.1016/j.molliq.2021.115948 |
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73. Intermolecular Interactions in Materials | Intermolecular driving forces on the adsorption of DNA/RNA nucleobases to graphene and phosphorene: An atomistic perspective from DFT calculations
D. Cortes-Arriagada* J. Mol. Liq. 325 (2021) 115229. DOI: 10.1016/j.molliq.2020.115229. |
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72. Intermolecular Interactions in Materials | Exploring the adsorption properties of doped phosphorene for the uptake of DNA nucleobases in solution
D. Cortes-Arriagada*, F. Cid-Mora. J. Mol. Liq. 325 (2021) 115183. DOI: 10.1016/j.molliq.2020.115183. |
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71. Co-transport by Micro(nano)plastics | Elucidating the co-transport of bisphenol A with polyethylene terephthalate (PET) nanoplastics: A theoretical study of the adsorption mechanism
D. Cortés-Arriagada* Environ. Pollut. 270 (2021) 116192. DOI: 10.1016/j.envpol.2020.116192. |
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70. Organometallic Compounds | A new CuII-dinuclear paddlewheel complex. Structural and electronic properties
A. K. Seguin, K. Wrighton-Araneda, D. Cortés-Arriagada, C. Cruz, D. Venegas-Yazigi, V. Paredes-García
J. Mol. Struct. 1224 (2021) 129172.
DOI: 10.1016/j.molstruc.2020.129172
A. K. Seguin, K. Wrighton-Araneda, D. Cortés-Arriagada, C. Cruz, D. Venegas-Yazigi, V. Paredes-García
J. Mol. Struct. 1224 (2021) 129172.
DOI: 10.1016/j.molstruc.2020.129172
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69. Adsorption of Pollutants | In silico study of the adsorption of acetamiprid on functionalized armchair carbon nanocones
E. García, L. Palomino-Asencio; R. Catarino-Centeno; J. Nochebuena; D. Cortés-Arriagada; E. Chigo-Anota. Phys. E (Amsterdam, Neth.) 128 (2021) 114516. DOI: 10.1016/j.physe.2020.114516. |
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2020
68. Data Article | Data of interaction of supported ionic liquids phases onto copper nanoparticles: A density functional theory study
K. Wrighton-Araneda, C. Valdebenito, G. Abarca*, D. Cortés-Arriagada*.
Data in Brief 33 (2020) 106562.
DOI: 10.1016/j.dib.2020.106562.
K. Wrighton-Araneda, C. Valdebenito, G. Abarca*, D. Cortés-Arriagada*.
Data in Brief 33 (2020) 106562.
DOI: 10.1016/j.dib.2020.106562.
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67. Intermolecular Interactions in Materials | A first-principles description of the stability of transition-metal doped phosphorene nanosheets
S. Gazzari, K. Wrighton-Araneda, D. Cortes-Arriagada*. Surf. Interfaces 21 (2020) 100786. DOI: 10.1016/j.surfin.2020.100786. Preprint. https://doi.org/10.26434/chemrxiv.12686012.v1. |
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66. Organometallic Compounds | Mechanistic Study of the Competitiveness Between Branched and Linear Polyethylene Production on N-Arylcyano-β-diketiminate Nickel Hydride
D.E Ortega; D. Cortés-Arriagada; O.S Trofymchuk; F. M Nachtigall; L.S Santos; A. Toro-Labbé. Polym. Chem. 11 (2020) 6640-6649. DOI: 10.1039/D0PY01027H |
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65. Organometallic Compounds | Effect on the Aromaticity of Heterocyclic Ligands by Coordination to Ruthenium Electron Withdrawing Metal Centers
L. Sanhueza, D. Cortes-Arriagada, R. Diaz, P. Dreyse, C. Garcia, I.A. Gonzalez, B. Loeb. Int. J. Quantum Chem. 120 (2020) e26412. DOI: 10.1002/qua.26412 |
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64. Photophysics of Organometallic Compounds | Studies on the solvatochromic effect and NLO response in new symmetric bimetallic Rhenium compounds.
I. Gonzáleza, D. Cortés-Arriagada, P. Dreyse, L. Sanhueza, I. Crivelli, H. Minh Ngo, I. Ledoux-Rak, A. Toro-Labbe, J. Maze, B. Loebb. Polyhedron 187 (2020) 114679. DOI: 10.1016/j.poly.2020.114679. |
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63. Photophysics of Organometallic Compounds | Synthesis and photophysical characterization of novel Ir(III) complexes with dipyridophenazine derivative (ppdh) as ancillary ligand.
I. González, J. Gómez, M. Santander-Nelli, M. Natali, D. Cortés-Arriagada, P. Dreyse.
Polyhedron 186 (2020) 114621. DOI: 10.1016/j.poly.2020.114621.
I. González, J. Gómez, M. Santander-Nelli, M. Natali, D. Cortés-Arriagada, P. Dreyse.
Polyhedron 186 (2020) 114621. DOI: 10.1016/j.poly.2020.114621.
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62. Adsorption of Pollutants | Exploring the Nature of Interaction and Stability between Water-Soluble Arsenic Pollutants and Metal-Phosphorene Hybrids: A DFT Study.
D.E. Ortega, D. Cortés Arriagada*. J. Phys. Chem. A 124 (2020) 3662-3671. DOI: 10.1021/acs.jpca.0c00532. |
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61. Intermolecular Interactions in Nanomaterials | Interaction of supported ionic liquids phases onto copper nanoparticles: A DFT study.
K. Wrighton-Araneda, C. Valdebenito, M. B. Camarada, G. Abarca, D. Cortes-Arriagada*. J. Mol. Liq. 310 (2020) 113089. DOI: 10.1016/j.molliq.2020.113089. |
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60. Adsorption of Pollutants | Removal of Arsenic from Water using Iron-doped Phosphorene Nanoadsorbents: A Theoretical DFT Study with Solvent Effects.
D. Cortes-Arriagada*, D.E. Ortega. J. Mol. Liq. 307 (2020) 112958. DOI: 10.1016/j.molliq.2020.112958. |
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59. Adsorption of Pollutants | Uptake of Formaldehyde onto doped Phosphorene Nanosheets: A Cluster DFT Study of Single and Co-adsorption States.
S. Gazzari, D. Cortes-Arriagada*. J. Alloys Compd. 831 (2020) 154885. DOI: 10.1016/j.jallcom.2020.154885. |
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58. Intermolecular Interactions in Nanomaterials | Highly modulated supported triazolium-based ionic liquids: direct control of the electronic environment on Cu nanoparticles.
C. Valdebenito, M. Nazarkovsky, K. Wrighton-Araneda, G. Chacón, O. Martínez-Ferraté, M. B. Camarada, D. Cortes-Arriagada, J. A. Fernandes, G. Abarca. Nanoscale Adv. 2 (2020) 1325-1332. DOI: 10.1039/D0NA00055H. |
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57. Adsorption of Pollutants | Importance of the interaction adsorbent – Adsorbate in the dyes adsorption process and DFT modeling.
I. A. Aguayo-Villarreal, D. Cortes-Arriagada, C. K. Rojas-Mayorga, K. Pineda-Urbina, R. Muñiz-Valencia, J. González.
J. Mol. Struct. 1203 (2020) 127398. DOI: 10.1016/j.molstruc.2019.127398.
I. A. Aguayo-Villarreal, D. Cortes-Arriagada, C. K. Rojas-Mayorga, K. Pineda-Urbina, R. Muñiz-Valencia, J. González.
J. Mol. Struct. 1203 (2020) 127398. DOI: 10.1016/j.molstruc.2019.127398.
56. Properties of Low-Dimensional Materials | Quantum molecular study on doping effect in Titanium and Vanadium clusters: Their application to remove some chemical species.
A. Bautista Hernández; D. Cortés-Arriagada; H. Camacho García; E. Chigo Anota; M. Salazar Villanueva.
Appl. Nanosci. 10 (2020) 37-49. DOI: 10.1007/s13204-019-01072-8.
A. Bautista Hernández; D. Cortés-Arriagada; H. Camacho García; E. Chigo Anota; M. Salazar Villanueva.
Appl. Nanosci. 10 (2020) 37-49. DOI: 10.1007/s13204-019-01072-8.
2019
55. Properties of Low-Dimensional Materials | Effect of Chemical Order in the Structural Stability and Physicochemical Properties of B12N12 Fullerenes.
A. Escobedo-Morales, L. Tepech-Carrillo, A. Bautista-Hernández, J. H. Camacho-García, D. Cortes-Arriagada, E. Chigo-Anota.
Sci. Rep. 9 (2019) 16521. DOI: 10.1038/s41598-019-52981-1.
A. Escobedo-Morales, L. Tepech-Carrillo, A. Bautista-Hernández, J. H. Camacho-García, D. Cortes-Arriagada, E. Chigo-Anota.
Sci. Rep. 9 (2019) 16521. DOI: 10.1038/s41598-019-52981-1.
54. Intermolecular Interactions in Nanomaterials | Molecular Conductance versus Inductive Effects from Axial Ligands on the Electrocatalytic Action for ORR of Self-Assembled Iron Phthalocyanine.
I. Ponce, R. Oñate, J. Zagal, A. Pizarro, J. Silva, M.C. Rezende, M. Flores, D. Cortés-Arriagada, A. Toro-Labbé, L. Campos, L. Venkataraman.
Electrochim. Acta 327 (2019) 134996. DOI: 10.1016/j.electacta.2019.134996.
I. Ponce, R. Oñate, J. Zagal, A. Pizarro, J. Silva, M.C. Rezende, M. Flores, D. Cortés-Arriagada, A. Toro-Labbé, L. Campos, L. Venkataraman.
Electrochim. Acta 327 (2019) 134996. DOI: 10.1016/j.electacta.2019.134996.
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53. Intermolecular Interactions in Nanomaterials | Chemical and Physical Viewpoints About the Bonding in Fullerene-Graphene Hybrid Materials: Interaction on Pristine and Fe-Doped Graphene.
D. Cortes-Arriagada*, L. Sanhueza, A. Bautista-Hernández, M. Salazar-Villanueva, E. Chigo Anota*. J. Phys. Chem. C 123 (2019) 24209-242019. DOI: 10.1021/acs.jpcc.9b07702. |
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52. Intermolecular Interactions in Nanomaterials | Impact of precipitates on the settling performance of a sulfide precipitation process: An exhaustive characterization of the aggregation behavior.
H. Estay Cuenca, M. Gim-Krumm, D. Cortés-Arriagada, J. Romero, M. Quilaqueo, V. Rojas, G. Seriche, E. Troncoso, R. Ruby-Figueroa. Hydrometallurgy 189 (2019) 105150. DOI: 10.1016/j.hydromet.2019.105150.
H. Estay Cuenca, M. Gim-Krumm, D. Cortés-Arriagada, J. Romero, M. Quilaqueo, V. Rojas, G. Seriche, E. Troncoso, R. Ruby-Figueroa. Hydrometallurgy 189 (2019) 105150. DOI: 10.1016/j.hydromet.2019.105150.
51. Adsorption of Pollutants | Performance of doped graphene nanoadsorbents with first-row transition metals (Sc-Zn) for the adsorption of water-soluble trivalent arsenicals: A DFT Study.
D. Cortés-Arriagada*, A. Mella.
J. Mol. Liq. 294 (2019) 111665. DOI: 10.1016/j.molliq.2019.111665.
D. Cortés-Arriagada*, A. Mella.
J. Mol. Liq. 294 (2019) 111665. DOI: 10.1016/j.molliq.2019.111665.
50. Intermolecular Interactions in Nanomaterials | Interaction of H₂O with (CuS)n, (Cu₂S)n and (ZnS)n small clusters (n=1-4, 6): Relation to the aggregation characteristics of metal sulfides at aqueous solutions.
K. Wrighton-Araneda, R. Ruby-Figueroa, H. Estay, D. Cortés-Arriagada*.
J. Mol. Model. 25 (2019) 291. DOI: 10.1007/s00894-019-4161-x.
K. Wrighton-Araneda, R. Ruby-Figueroa, H. Estay, D. Cortés-Arriagada*.
J. Mol. Model. 25 (2019) 291. DOI: 10.1007/s00894-019-4161-x.
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49. Adsorption of Pollutants | Interaction of trivalent arsenic on different topologies of Fe-doped graphene nanosheets at water environments: A computational study.
S. Gazzari, D. Cortés-Arriagada*. J. Mol. Liq. 289 (2019) 111137. DOI: 10.1016/j.molliq.2019.111137. |
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48. Adsorption of Pollutants | Computational quest of adsorbents based on doped graphene nanosheets for phosgene uptake, and analysis of the co-adsorption phenomena.
A. Mella, D. Cortés-Arriagada. Synth. Met. 252 (2019) 142-150. DOI: 10.1016/j.synthmet.2019.04.020. |
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47.Intermolecular Interactions in Nanomaterials | Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study.
J. Carreto Escobara, M. Salazar Villanueva, A. Bautista Hernández, D. Cortés-Arriagada, E. Chigo Anota.
J. Mol. Graphics Modell. 86 (2019) 27-34. DOI: 10.1016/j.jmgm.2018.10.003.
J. Carreto Escobara, M. Salazar Villanueva, A. Bautista Hernández, D. Cortés-Arriagada, E. Chigo Anota.
J. Mol. Graphics Modell. 86 (2019) 27-34. DOI: 10.1016/j.jmgm.2018.10.003.
46. Properties of Low-Dimensional Materials | Fullerene-like boron nitride cages BxNy (x+y=28): Stabilities and electronic properties from Density Functional Theory computation.
A. Rodriguez Juarez, M. Salazar, D. Cortés-Arriagada, E. Chigo.
J. Mol. Model. 25:21 (2019). DOI: 10.1007/s00894-018-3902-6.
A. Rodriguez Juarez, M. Salazar, D. Cortés-Arriagada, E. Chigo.
J. Mol. Model. 25:21 (2019). DOI: 10.1007/s00894-018-3902-6.
45. Photophysics of Organic Compounds | Substituent Effects on the Photophysical Properties of Amino-Aurone-Derivatives.
K. Muñoz, N. Villegas-Escobar, C. Zuñiga, D. Cortés-Arriagada, A. Toro-Labbé.
Mol. Phys. 117 (2019) 1451-1458. DOI: 10.1080/00268976.2018.1559372.
K. Muñoz, N. Villegas-Escobar, C. Zuñiga, D. Cortés-Arriagada, A. Toro-Labbé.
Mol. Phys. 117 (2019) 1451-1458. DOI: 10.1080/00268976.2018.1559372.
44. Intermolecular Interactions in Nanomaterials | Enhancement of Caffeine Adsorption on Boron Nitride Fullerene by Silicon Doping.
V. Rosiles Gonzalez, A. Escobedo-Morales, D. Cortés-Arriagada, Ma. de L. Ruiz Peralta, E. Chigo-Anota.
Appl. Nanosci. 3 (2019) 317-326. DOI: 10.1007/s13204-018-0901-y.
V. Rosiles Gonzalez, A. Escobedo-Morales, D. Cortés-Arriagada, Ma. de L. Ruiz Peralta, E. Chigo-Anota.
Appl. Nanosci. 3 (2019) 317-326. DOI: 10.1007/s13204-018-0901-y.
2018
43. Reaction Mechanisms and Catalysis | Molecular Hydrogen Formation in the Interstellar Media: The Role of Polycyclic Aromatic Hydrocarbons analyzed by the Reaction Force and Activation Strain Model.
C. Barrales-Martinez, D. Cortés-Arriagada, S. Gutierrez-Oliva.
Mon. Not. R. Astron. Soc. 481 (2018) 3052-3062. DOI: 10.1093/mnras/sty2215.
C. Barrales-Martinez, D. Cortés-Arriagada, S. Gutierrez-Oliva.
Mon. Not. R. Astron. Soc. 481 (2018) 3052-3062. DOI: 10.1093/mnras/sty2215.
42. Reaction Mechanisms and Catalysis | Mechanistic Details of the Ethylene Polymerization Reaction: Effect of Ligand Functionalization on Methallyl Nickel (II) Catalysts.
D. E. Ortega, D. Cortés-Arriagada, A. Toro-Labbé.
Phys. Chem. Chem. Phys. 20 (2018) 22915-22925. DOI: 10.1039/C8CP03955K.
D. E. Ortega, D. Cortés-Arriagada, A. Toro-Labbé.
Phys. Chem. Chem. Phys. 20 (2018) 22915-22925. DOI: 10.1039/C8CP03955K.
41. Intermolecular Interactions in Nanomaterials | Building Pyridinium Molecular Wires as Axial Ligands for Tuning the Electrocatalytic Activity of Iron Phthalocyanines for the Oxygen Reduction Reaction.
Pizarro, A; Abarca, G; Cortés-Arriagada, D; Gutiérrez-Cerón, C; Bernardi, F; Berrios, C; Silva, J.; Rezende, M; Zagal, J; Oñate, R; Ponce, I.
ACS Catal. 8 (2018) 8406-8419. DOI: 10.1021/acscatal.8b01479.
Pizarro, A; Abarca, G; Cortés-Arriagada, D; Gutiérrez-Cerón, C; Bernardi, F; Berrios, C; Silva, J.; Rezende, M; Zagal, J; Oñate, R; Ponce, I.
ACS Catal. 8 (2018) 8406-8419. DOI: 10.1021/acscatal.8b01479.
40. Photophysics of Organometallic Compounds | Heteroleptic Cu(I) complexes bearing methoxycarbonyl-imidoylindazole and POP ligands - An experimental and theoretical study of their photophysical properties.
I.A. Gonzalez, M.A. Henriquez, D. Cortés-Arriagada, M. Natali, C.G. Daniliuc, P. Dreyse, J. Maze, V. Was, R.S. Rojas, C.O. Salas, A.R. Cabrera.
New J. Chem. 42 (2018) 12576-12586. DOI: 10.1039/C8NJ00699G.
I.A. Gonzalez, M.A. Henriquez, D. Cortés-Arriagada, M. Natali, C.G. Daniliuc, P. Dreyse, J. Maze, V. Was, R.S. Rojas, C.O. Salas, A.R. Cabrera.
New J. Chem. 42 (2018) 12576-12586. DOI: 10.1039/C8NJ00699G.
39. Intermolecular Interactions in Nanomaterials | Effects on the aromatic character of DNA/RNA nucleobases due to its adsorption onto graphene.
D. Cortés-Arriagada*, D.E. Ortega.
Int. J. Quantum Chem. 118 (2018) e25699. DOI: 10.1002/qua.25699.
D. Cortés-Arriagada*, D.E. Ortega.
Int. J. Quantum Chem. 118 (2018) e25699. DOI: 10.1002/qua.25699.
38. Photophysics of Organometallic Compounds | Insights into the luminescent properties of anionic cyclometalated Ir(III) complexes with ligands derived from natural products.
D. Cortés-Arriagada, P. Dreyse, F. Salas, I. González.
Int. J. Quantum Chem. 118 (2018) e25664. DOI: 10.1002/qua.25664.
D. Cortés-Arriagada, P. Dreyse, F. Salas, I. González.
Int. J. Quantum Chem. 118 (2018) e25664. DOI: 10.1002/qua.25664.
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37. Reaction Mechanisms and Catalysis | Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-π-Methane Rearrangement.
R.A. Matute, P. Pérez, E. Chamorro, N. Villegas-Escobar, D. Cortés-Arriagada, B. Herrera, S. Gutiérrez-Oliva, A. Toro-Labbé. J. Org. Chem. 83 (2018) 5969-5974. DOI: 10.1021/acs.joc.8b00499. |
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36. Intermolecular Interactions in Nanomaterials | Phosphorene as a template material for physisorption of DNA/RNA nucleobases and resembling of base pairs: A cluster DFT study and comparisons with graphene.
D. Cortés-Arriagada*. J. Phys. Chem. C 122 (2018) 4870-4880. DOI: 10.1021/acs.jpcc.7b11268. |
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35. Reaction Mechanisms and Catalysis | B(C6F5)3 promotes the catalytic activation of [N,S]-ferrocenyl nickel complexes in ethylene oligomerization.
B. Rodriguez, D. Cortés-Arriagada, E.P. Sanchez-Rodriguez, R. Toscano, M. Ortega-Alfaro, J. Lopez-Cortés, A. Toro-Labbé.
Appl. Catal., A 550 (2018) 228-235. DOI: 10.1016/j.apcata.2017.11.015.
B. Rodriguez, D. Cortés-Arriagada, E.P. Sanchez-Rodriguez, R. Toscano, M. Ortega-Alfaro, J. Lopez-Cortés, A. Toro-Labbé.
Appl. Catal., A 550 (2018) 228-235. DOI: 10.1016/j.apcata.2017.11.015.
34. Intermolecular Interactions in Nanomaterials | Influence of the anion nature and alkyl substituents in the behavior of ionic liquids derived from phenylpyridines.
P. Dreyse, A. Alarcón, A. Gáldamez, I. González, D. Cortés-Arriagada, F. Castillo, A. Mella.
J. Mol. Struct. 1154 (2018) 382-391. DOI: 10.1016/j.molstruc.2017.10.062.
P. Dreyse, A. Alarcón, A. Gáldamez, I. González, D. Cortés-Arriagada, F. Castillo, A. Mella.
J. Mol. Struct. 1154 (2018) 382-391. DOI: 10.1016/j.molstruc.2017.10.062.
33. Adsorption of Pollutants | Fe-doped Graphene Nanosheets as Adsorption Platforms of Harmful Gas Molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O2 environments.
D. Cortés-Arriagada, N. Villegas-Escobar, D.E. Ortega.
Appl. Surf. Sci. 427 (2018) 227-236. DOI: 10.1016/j.apsusc.2017.08.216.
D. Cortés-Arriagada, N. Villegas-Escobar, D.E. Ortega.
Appl. Surf. Sci. 427 (2018) 227-236. DOI: 10.1016/j.apsusc.2017.08.216.
2017
32. Organometallic Compounds | Nonlinear Optical Response of Octupolar Zn(II) Complexes Incorporating Highly Aromatic Polypyridinic Ligands: Insights into the Role of the Metal Center.
L. Sanhueza, I. Ledoux-Rak, D. Cortés-Arriagada, I. Crivelli, B. Loeb.
Synth. Met. 234 (2017) 9-17. DOI: 10.1016/j.synthmet.2017.09.005.
L. Sanhueza, I. Ledoux-Rak, D. Cortés-Arriagada, I. Crivelli, B. Loeb.
Synth. Met. 234 (2017) 9-17. DOI: 10.1016/j.synthmet.2017.09.005.
31. Intermolecular Interactions in Nanomaterials | Supramolecular Control of Singlet Oxygen Generation Using Cucurbit[n]urils Inclusion Complexes.
J. Robinson-Duggon, D. Cortés-Arriagada, D. Fuentealba.
J. Phys. Chem. C 121 (2017) 21782-21789. DOI: 10.1021/acs.jpcc.7b07736.
J. Robinson-Duggon, D. Cortés-Arriagada, D. Fuentealba.
J. Phys. Chem. C 121 (2017) 21782-21789. DOI: 10.1021/acs.jpcc.7b07736.
30. Reaction Mechanisms and Catalysis | Tailoring electroactive surfaces by non-template molecular assembly. Towards the electrooxidation of L-cysteine.
M. Santander-Nelli, C. Silva, D. Cortés-Arriagada, J. Espinoza-Vergara, J. Silva, C. Olguín, J. Zagal, I. Díez-Pérez, F. Mendizabal, J. Pavez.
Electrochim. Acta 254 (2017) 201-213. DOI: 10.1016/j.electacta.2017.09.082.
M. Santander-Nelli, C. Silva, D. Cortés-Arriagada, J. Espinoza-Vergara, J. Silva, C. Olguín, J. Zagal, I. Díez-Pérez, F. Mendizabal, J. Pavez.
Electrochim. Acta 254 (2017) 201-213. DOI: 10.1016/j.electacta.2017.09.082.
29. Reaction Mechanisms and Catalysis | A theoretical analysis of the C-F bond cleavage mediated by Cob[I]alamin based structures.
D. Cortés-Arriagada, A. Toro-Labbe, J. R. Mora, L. Rincón, R. Mereau, F. J. Torres.
J. Mol. Model. 23 (2017) 264. DOI: 10.1007/s00894-017-3431-8.
D. Cortés-Arriagada, A. Toro-Labbe, J. R. Mora, L. Rincón, R. Mereau, F. J. Torres.
J. Mol. Model. 23 (2017) 264. DOI: 10.1007/s00894-017-3431-8.
28. Adsorption of Pollutants | Oxidized and Si-doped Graphene: Emerging Adsorbents for Removal of 1,4-Dioxane.
D. Cortés-Arriagada, S. Miranda‑Rojas, D.E. Ortega, A. Toro-Labbe.
Phys. Chem. Chem. Phys. 19 (2017) 17587-17597. DOI: 10.1039/C7CP03076B.
D. Cortés-Arriagada, S. Miranda‑Rojas, D.E. Ortega, A. Toro-Labbe.
Phys. Chem. Chem. Phys. 19 (2017) 17587-17597. DOI: 10.1039/C7CP03076B.
27. Photophysics of Organic Compounds | Fluorescence Properties of Aurone Derivatives: An Experimental and Theoretical Study with Some Preliminary Biological Applications.
C. Espinosa-Bustos, D. Cortés-Arriagada, M. Soto-Arriaza, J. Robinson-Duggon, N. Pizarro, A.R. Cabrera, D. Fuentealba, C. Salas.
Photochem. Photobiol. Sci. 16 (2017) 1268-1276. DOI: 10.1039/C7PP00078B
C. Espinosa-Bustos, D. Cortés-Arriagada, M. Soto-Arriaza, J. Robinson-Duggon, N. Pizarro, A.R. Cabrera, D. Fuentealba, C. Salas.
Photochem. Photobiol. Sci. 16 (2017) 1268-1276. DOI: 10.1039/C7PP00078B
26. Adsorption of Pollutants | A DFT analysis of the adsorption of nitrogen oxides on Fe-doped graphene, and the electric field induced desorption.
D. Cortés-Arriagada, N. Villegas-Escobar.
Appl. Surf. Sci. 420 (2017) 446-455. DOI: 10.1016/j.apsusc.2017.05.162.
D. Cortés-Arriagada, N. Villegas-Escobar.
Appl. Surf. Sci. 420 (2017) 446-455. DOI: 10.1016/j.apsusc.2017.05.162.
25. Reaction Mechanisms and Catalysis | The Role of the co-Activation and Ligand Functionalization in Neutral Methallyl Nickel (II) Catalysts for Oligomerization and Polymerization of Ethylene.
D. E. Ortega, D. Cortés-Arriagada, O. S. Trofymchuk, D. Yepes, S. Gutiérrez-Oliva, R. Rojas, A. Toro-Labbé.
Chem. - Eur. J. 23 (2017) 10167-10176. DOI: 10.1002/chem.201701571
D. E. Ortega, D. Cortés-Arriagada, O. S. Trofymchuk, D. Yepes, S. Gutiérrez-Oliva, R. Rojas, A. Toro-Labbé.
Chem. - Eur. J. 23 (2017) 10167-10176. DOI: 10.1002/chem.201701571
24. Reaction Mechanisms and Catalysis | Why Low Valent Pb Hydride Complex Would be a Better Catalyst for CO Activation than its 14 Group Analogs?
N. Villegas- Escobar, D.E. Ortega, D. Cortés-Arriagada, R. Duran, D. Yepes, S. Gutierrez-Oliva, A. Toro-Labbé.
J. Phys. Chem. C 121 (2017) 12127-12135. DOI: 10.1021/acs.jpcc.7b00278
N. Villegas- Escobar, D.E. Ortega, D. Cortés-Arriagada, R. Duran, D. Yepes, S. Gutierrez-Oliva, A. Toro-Labbé.
J. Phys. Chem. C 121 (2017) 12127-12135. DOI: 10.1021/acs.jpcc.7b00278
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23. Intermolecular Interactions in Nanomaterials | Adsorption of Polycyclic Aromatic Hydrocarbons (PAHs) onto Graphyne: Comparisons with Graphene.
D. Cortés-Arriagada. Int. J. Quantum Chem. 117 (2017) e25346. DOI: 10.1002/qua.25346 |
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22. Intermolecular Interactions in Nanomaterials | In Silico characterization of Nitric Oxide Adsorption on a Magnetic [B24N36 Fullerene/(TiO2)2]− Nanocomposite.
E. Chigo-Anota, D. Cortés-Arriagada, Alejandro Bautista Hernandez, Miguel Castro.
Appl. Surf. Sci. 400 (2017) 283-292. DOI: 10.1016/j.apsusc.2016.12.153
E. Chigo-Anota, D. Cortés-Arriagada, Alejandro Bautista Hernandez, Miguel Castro.
Appl. Surf. Sci. 400 (2017) 283-292. DOI: 10.1016/j.apsusc.2016.12.153
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21. Adsorption of Pollutants | Adsorption/Desorption process of Formaldehyde onto Iron Doped Graphene: A Theoretical Exploration from Density Functional Theory Calculations.
D. Cortés-Arriagada, N. Villegas-Escobar, S. Miranda‑Rojas, A. Toro-Labbé. Phys. Chem. Chem. Phys. 19 (2017) 4179-4189. DOI: 10.1039/C6CP07710B. |
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2016
20. Adsorption of Pollutants | Expanding the Environmental Applications of Metal (Al, Ti, Mn, Fe) Doped Graphene: Adsorption and Removal of 1,4-Dioxane.
D. Cortés-Arriagada.
Phys. Chem. Chem. Phys. 18 (2016) 32281-32292. DOI: 10.1039/C6CP07311E.
D. Cortés-Arriagada.
Phys. Chem. Chem. Phys. 18 (2016) 32281-32292. DOI: 10.1039/C6CP07311E.
19. Adsorption of Pollutants | Aluminum and Iron Doped Graphene for Adsorption of Methylated Arsenic Pollutants.
D. Cortés-Arriagada, A. Toro-Labbé.
Appl. Surf. Sci. 386 (2016) 84-95. DOI: 10.1016/j.apsusc.2016.05.154.
D. Cortés-Arriagada, A. Toro-Labbé.
Appl. Surf. Sci. 386 (2016) 84-95. DOI: 10.1016/j.apsusc.2016.05.154.
18. Photophysics of Organometallic Compounds | New cyclometalated Ir(III) complexes with bulky ligands with potential applications in LEC devices. Experimental and theoretical studies of their photophysical properties.
P. Dreyse, I. González, D. Cortés-Arriagada, O. Ramírez, I. Salas, A. González, A. Toro-Labbé, B. Loeb.
New J. Chem. 40 (2016) 6253-6263. DOI: 10.1039/C6NJ00213G.
P. Dreyse, I. González, D. Cortés-Arriagada, O. Ramírez, I. Salas, A. González, A. Toro-Labbé, B. Loeb.
New J. Chem. 40 (2016) 6253-6263. DOI: 10.1039/C6NJ00213G.
17. Adsorption of Pollutants | Theoretical Investigation of the Removal of Methylated Arsenic Pollutants with Silicon Doped Graphene.
D. Cortés-Arriagada, A. Toro-Labbé.
RSC Adv. 6 (2016) 28500-28511. DOI: 10.1039/C6RA03813A.
D. Cortés-Arriagada, A. Toro-Labbé.
RSC Adv. 6 (2016) 28500-28511. DOI: 10.1039/C6RA03813A.
16. Adsorption of Pollutants | Insights into the use of Au₁₉Cu and Au₁₉Pd Clusters for Adsorption of Trivalent Arsenic.
D. Cortés-Arriagada, A. Toro-Labbé.
Theor. Chem. Acc. 135 (2016) 52. DOI: 10.1007/s00214-016-1825-9.
D. Cortés-Arriagada, A. Toro-Labbé.
Theor. Chem. Acc. 135 (2016) 52. DOI: 10.1007/s00214-016-1825-9.
15. Photophysics of Organometallic Compounds | Synthesis of new phosphorescent imidoyl-indazol and phosphines mixed ligand Cu(I) complexes - Structural characterization and photophysical properties.
A.R. Cabrera, I.A. Gonzalez, D. Cortés-Arriagada, M. Natali, H. Berke, C.G. Daniliuc, M.B. Camarada, A. Toro-Labbé, R.S. Rojas, C.O. Salas.
RSC Adv. 6 (2016) 5141-5153. DOI: 10.1039/C5RA20450J.
A.R. Cabrera, I.A. Gonzalez, D. Cortés-Arriagada, M. Natali, H. Berke, C.G. Daniliuc, M.B. Camarada, A. Toro-Labbé, R.S. Rojas, C.O. Salas.
RSC Adv. 6 (2016) 5141-5153. DOI: 10.1039/C5RA20450J.
14. Adsorption of Pollutants | The effect of pH on the adsorption of arsenic(III) and arsenic(V) at the TiO2 anatase [101] surface.
Z. Wei, K. Liang, Y. Wu, Y. Zou, J. Zuo, D. Cortés Arriagada, Z. Pan, G. Hu.
J. Colloid Interface Sci. 462 (2016), 252-259. DOI: 10.1016/j.jcis.2015.10.018.
Z. Wei, K. Liang, Y. Wu, Y. Zou, J. Zuo, D. Cortés Arriagada, Z. Pan, G. Hu.
J. Colloid Interface Sci. 462 (2016), 252-259. DOI: 10.1016/j.jcis.2015.10.018.
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13. Photophysics of Organometallic Compounds | About the electronic and photophysical properties of Iridium (III)-pyrazino[2,3-f][1,10]-phenanthroline based complexes for use in electroluminescent devices.
D. Cortés-Arriagada*, L. Sanhueza, I. Gonzalez, P. Dreyse, A. Toro-Labbé. Phys. Chem. Chem. Phys. 18 (2016) 726-734. DOI: 10.1039/C5CP05328E. |
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2015
12. Photophysics of Organometallic Compounds | A family of IrIII complexes with high non-linear optical response and potential use in light emitting devices.
I. González, D. Cortés-Arriagada, P. Dreyse, L. Sanhueza-Vega, I. Ledoux-Rak, D. Andrade, I. Brito, A. Toro-Labbé, M. Soto-Arriaza, S. Caramori, B. Loeb.
Eur. J. Inorg. Chem. (2015), 4946. DOI: 10.1002/ejic.201500505.
I. González, D. Cortés-Arriagada, P. Dreyse, L. Sanhueza-Vega, I. Ledoux-Rak, D. Andrade, I. Brito, A. Toro-Labbé, M. Soto-Arriaza, S. Caramori, B. Loeb.
Eur. J. Inorg. Chem. (2015), 4946. DOI: 10.1002/ejic.201500505.
11. Photophysics of Organometallic Compounds | Comparative study of Ir(III) complexes with pyrazino[2,3-f][1,10]phenanthroline and pyrazino[2,3-f][4,7]phenanthroline ligands in light-emitting electrochemical cells (LECs).
I. González, P. Dreyse, D. Cortés-Arriagada, M. Sundararajan, C. Morgado, I. Brito, C. Roldán-Carmona, H.J. Bolink, B. Loeb.
Dalton Trans. 44 (2015) 14771-14781. DOI: 10.1039/C5DT01385B.
I. González, P. Dreyse, D. Cortés-Arriagada, M. Sundararajan, C. Morgado, I. Brito, C. Roldán-Carmona, H.J. Bolink, B. Loeb.
Dalton Trans. 44 (2015) 14771-14781. DOI: 10.1039/C5DT01385B.
10. Adsorption of Pollutants | Binding of trivalent arsenic onto the tetrahedral Au20 and Au19Pt clusters: implications in adsorption and sensing.
D. Cortés-Arriagada, M.P. Oyarzún, L. Sanhueza, A. Toro-Labbé.
J. Phys. Chem. A 119 (2015), 6909–6918. DOI: 10.1021/acs.jpca.5b03832.
D. Cortés-Arriagada, M.P. Oyarzún, L. Sanhueza, A. Toro-Labbé.
J. Phys. Chem. A 119 (2015), 6909–6918. DOI: 10.1021/acs.jpca.5b03832.
9. Adsorption of Pollutants | Improving the As(III) adsorption on graphene based surfaces: impact of the chemical doping.
D. Cortés-Arriagada, A. Toro-Labbé.
Phys. Chem. Chem. Phys. 17 (2015), 12056-12064. DOI: 10.1039/C5CP01313E.
D. Cortés-Arriagada, A. Toro-Labbé.
Phys. Chem. Chem. Phys. 17 (2015), 12056-12064. DOI: 10.1039/C5CP01313E.
2014
8. Reaction Mechanisms and Catalysis | The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux.
D. Cortés-Arriagada, S. Gutierrez-Oliva, B. Herrera, K. Soto, A. Toro-Labbé.
J. Chem. Phys. 141 (2014), 134701. DOI: 10.1063/1.4896611.
D. Cortés-Arriagada, S. Gutierrez-Oliva, B. Herrera, K. Soto, A. Toro-Labbé.
J. Chem. Phys. 141 (2014), 134701. DOI: 10.1063/1.4896611.
7. Properties of Low-Dimensional Materials | Evaluating the hydrogen chemisorption and physisorption energies for nitrogen-containing single-walled carbon nanotubes with different chiralities: a density functional theory study.
M.L. Contreras, D. Cortés-Arriagada, I. Villarroel, J. Alvarez, R. Rozas.
Struct. Chem. 25 (2014) 1045-1056. DOI: 10.1007/s11224-013-0377-z.
M.L. Contreras, D. Cortés-Arriagada, I. Villarroel, J. Alvarez, R. Rozas.
Struct. Chem. 25 (2014) 1045-1056. DOI: 10.1007/s11224-013-0377-z.
2013
6. Thesis Article | Electron Transport Properties through Graphene Oxide-Cobalt Phthalocyanine Complexes.
G.I. Cárdenas-Jirón, P. León-Plata, D. Cortés-Arriagada, J.M. Seminario.
J. Phys. Chem. C 117 (2013) 23664-23675. DOI: 10.1021/jp405951p.
G.I. Cárdenas-Jirón, P. León-Plata, D. Cortés-Arriagada, J.M. Seminario.
J. Phys. Chem. C 117 (2013) 23664-23675. DOI: 10.1021/jp405951p.
5. Adsorption of Pollutants | Modeling the Bisphenol-A Physisorption on Graphene and Graphene Oxide.
D. Cortés Arriagada, L. Sanhueza, M. Santander-Nelli.
J. Mol. Model. 19 (2013) 3569-3580. DOI: 10.1007/s00894-013-1872-2.
D. Cortés Arriagada, L. Sanhueza, M. Santander-Nelli.
J. Mol. Model. 19 (2013) 3569-3580. DOI: 10.1007/s00894-013-1872-2.
4. Adsorption of Pollutants | Removal of 4-Chlorophenol Using Graphene, Graphene Oxide and A-doped Graphene (A=N, B): A Computational Study.
D. Cortés-Arriagada, L. Sanhueza, K. Wrighton.
Int. J. Quantum Chem. 113 (2013) 1931-1939. DOI: 10.1002/qua.24416.
D. Cortés-Arriagada, L. Sanhueza, K. Wrighton.
Int. J. Quantum Chem. 113 (2013) 1931-1939. DOI: 10.1002/qua.24416.
3. Properties of Low-Dimensional Materials | Global and Local Reactivity Indexes Applied to Understand the Chemistry of Graphene Oxide and Doped Graphene.
D. Cortés Arriagada.
J. Mol. Model. 19 (2013) 919-30. DOI: 10.1007/s00894-012-1642-6.
D. Cortés Arriagada.
J. Mol. Model. 19 (2013) 919-30. DOI: 10.1007/s00894-012-1642-6.
2011
2. Thesis Article | Electrical Characteristics of a Cobalt Phthalocyanine Complexes Adsorbed on Graphene.
G. Cárdenas-Jirón, P. León-Plata, D. Cortés-Arriagada, J.M. Seminario.
J. Phys. Chem. C 115 (2011) 16052-16062. DOI: 10.1021/jp2041026.
G. Cárdenas-Jirón, P. León-Plata, D. Cortés-Arriagada, J.M. Seminario.
J. Phys. Chem. C 115 (2011) 16052-16062. DOI: 10.1021/jp2041026.
1. Thesis Article | A Through Space Charge Transfer Mechanism for Explaining the Oxidation of 2-Chlorophenol on a Tetrasulphonated Nickel(III) Phthalocyanine.
D. Cortés-Arriagada, G. Cárdenas-Jirón.
Comput. Theor. Chem. 963 (2011) 161-167. DOI: 10.1016/j.comptc.2010.10.015.
D. Cortés-Arriagada, G. Cárdenas-Jirón.
Comput. Theor. Chem. 963 (2011) 161-167. DOI: 10.1016/j.comptc.2010.10.015.