| Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O2 environments D Cortés-Arriagada, N Villegas-Escobar, DE Ortega Applied Surface Science 427, 227-236, 2018 | 212 | 2018 |
| 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 Applied Surface Science 420, 446-455, 2017 | 79 | 2017 |
| 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 Physical Chemistry Chemical Physics 19 (6), 4179-4189, 2017 | 47 | 2017 |
| Gold vinylidenes as useful intermediates in synthetic organic chemistry F Gagosz Synthesis 51 (05), 1087-1099, 2019 | 44 | 2019 |
| Catalytic Mechanism of H2 Activation by a Carbenoid Aluminum Complex N Villegas-Escobar, S Gutiérrez-Oliva, A Toro-Labbé The Journal of Physical Chemistry C 119 (47), 26598-26604, 2015 | 37 | 2015 |
| Breaking carbon–fluorine bonds with main group nucleophiles G Coates, F Rekhroukh, MR Crimmin Synlett 30 (20), 2233-2246, 2019 | 36 | 2019 |
| Toward a Neutral Single-Component Amidinate Iodide Aluminum Catalyst for the CO2 Fixation into Cyclic Carbonates S Saltarini, N Villegas-Escobar, J Martínez, CG Daniliuc, RA Matute, ... Inorganic Chemistry 60 (2), 1172-1182, 2020 | 26 | 2020 |
| Formation of Formic Acid Derivatives through Activation and Hydroboration of CO2 by Low-Valent Group 14 (Si, Ge, Sn, Pb) Catalysts N Villegas-Escobar, HF Schaefer III, A Toro-Labbé The Journal of Physical Chemistry A 124 (6), 1121-1133, 2020 | 26 | 2020 |
| Double Gold Activation of 1‐Ethynyl‐2‐(Phenylethynyl)Benzene Toward 5‐exo‐dig and 6‐endo‐dig Cyclization Reactions N Villegas‐Escobar, MH Larsen, S Gutiérrez‐Oliva, ASK Hashmi, ... Chemistry–A European Journal 23 (54), 13360-13368, 2017 | 24 | 2017 |
| Reaction electronic flux perspective on the mechanism of the Zimmerman di-π-methane rearrangement RA Matute, P Pérez, E Chamorro, N Villegas-Escobar, ... The Journal of Organic Chemistry 83 (11), 5969-5974, 2018 | 22 | 2018 |
| Decomposition of the electronic activity in competing [5, 6] and [6, 6] cycloaddition reactions between C 60 and cyclopentadiene N Villegas-Escobar, A Poater, M Sola, HF Schaefer, A Toro-Labbé Physical Chemistry Chemical Physics 21 (9), 5039-5048, 2019 | 15 | 2019 |
| Why Low Valent Lead(II) Hydride Complex Would be a Better Catalyst for CO2 Activation than Its 14 Group Analogues? N Villegas-Escobar, DE Ortega, D Cortés-Arriagada, R Durán, D Yepes, ... The Journal of Physical Chemistry C 121 (22), 12127-12135, 2017 | 15 | 2017 |
| A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs N Villegas-Escobar, A Toro-Labbé, M Becerra, M Real-Enriquez, JR Mora, ... Journal of Molecular Modeling 23, 1-10, 2017 | 13 | 2017 |
| Contrasting the Mechanism of H2 Activation by Monomeric and Potassium‐Stabilized Dimeric AlI Complexes: Do Potassium Atoms Exert any Cooperative Effect? N Villegas‐Escobar, A Toro‐Labbé, HF Schaefer III Chemistry–A European Journal 27 (69), 17369-17378, 2021 | 12 | 2021 |
| Symmetry-adapted reaction electronic flux in cycloaddition reactions N Villegas-Escobar, S Vogt-Geisse, S Gutiérrez-Oliva, A Toro-Labbé Theoretical Chemistry Accounts 135, 1-8, 2016 | 12 | 2016 |
| Phenoxylation of Alkynes through Mono‐and Dual Activation Using Group 11 (Cu, Ag, Au) Catalysts M Ramos, J Poater, N Villegas‐Escobar, M Gimferrer, A Toro‐Labbé, ... European Journal of Inorganic Chemistry 2020 (11-12), 1123-1134, 2020 | 10 | 2020 |
| Theoretical study of glycine amino acid adsorption on graphene oxide AC Rossi-Fernández, N Villegas-Escobar, D Guzmán-Angel, ... Journal of molecular modeling 26, 1-10, 2020 | 10 | 2020 |
| Substituent effects on the photophysical properties of amino-aurone-derivatives K Muñoz-Becerra, N Villegas-Escobar, C Zúñiga-Loyola, ... Molecular Physics 117 (9-12), 1451-1458, 2019 | 10 | 2019 |
| Diverse Cooperative Reactivity at a Square Planar Aluminium Complex and Catalytic Reduction of CO2 CL Shaves, N Villegas‐Escobar, ER Clark, IM Riddlestone Chemistry–A European Journal 29 (16), e202203806, 2023 | 7 | 2023 |
| Radicals derived from acetaldehyde and vinyl alcohol ML Estep, WJ Morgan, AT Winkles, AS Abbott, N Villegas-Escobar, ... Physical Chemistry Chemical Physics 19 (40), 27275-27287, 2017 | 7 | 2017 |
