Eyringpy: A program for computing rate constants in the gas phase and in solution E Dzib, JL Cabellos, F Ortíz‐Chi, S Pan, A Galano, G Merino International Journal of Quantum Chemistry 119 (2), e25686, 2019 | 160 | 2019 |
Revisiting the racemization mechanism of helicenes J Barroso, JL Cabellos, S Pan, F Murillo, X Zarate, MA Fernandez-Herrera, ... Chemical Communications 54 (2), 188-191, 2018 | 128 | 2018 |
Coaxial Triple‐Layered versus Helical Be6B11− Clusters: Dual Structural Fluxionality and Multifold Aromaticity JC Guo, LY Feng, YJ Wang, S Jalife, A Vásquez‐Espinal, JL Cabellos, ... Angewandte Chemie International Edition 56 (34), 10174-10177, 2017 | 98 | 2017 |
Understanding energy-level alignment in donor–acceptor/metal interfaces from core-level shifts A El-Sayed, P Borghetti, E Goiri, C Rogero, L Floreano, G Lovat, ... ACS nano 7 (8), 6914-6920, 2013 | 98 | 2013 |
Dynamical behavior of borospherene: a nanobubble G Martínez-Guajardo, JL Cabellos, A Díaz-Celaya, S Pan, R Islas, ... Scientific reports 5, 11287, 2015 | 89 | 2015 |
Li2B12 and Li3B12: Prediction of the Smallest Tubular and Cage‐like Boron Structures X Dong, S Jalife, A Vásquez‐Espinal, E Ravell, S Pan, JL Cabellos, ... Angewandte Chemie International Edition 57 (17), 4627-4631, 2018 | 80 | 2018 |
In quest of strong Be–Ng bonds among the neutral Ng–Be complexes S Pan, D Moreno, JL Cabellos, J Romero, A Reyes, G Merino, ... The Journal of Physical Chemistry A 118 (2), 487-494, 2013 | 80 | 2013 |
Dynamical behavior of boron clusters S Jalife, L Liu, S Pan, JL Cabellos, E Osorio, C Lu, T Heine, KJ Donald, ... Nanoscale 8 (40), 17639-17644, 2016 | 76 | 2016 |
Planar pentacoordinate carbons in CBe 5 4− derivatives R Grande-Aztatzi, JL Cabellos, R Islas, I Infante, JM Mercero, A Restrepo, ... Physical Chemistry Chemical Physics 17 (6), 4620-4624, 2015 | 75 | 2015 |
Planar pentacoordinate carbon atoms embedded in a metallocene framework Z Cui, V Vassilev-Galindo, JL Cabellos, E Osorio, M Orozco, S Pan, ... Chemical Communications 53 (1), 138-141, 2017 | 68 | 2017 |
Planar tetracoordinate carbons with a double bond in CAl 3 E clusters Z Cui, Y Ding, JL Cabellos, E Osorio, R Islas, A Restrepo, G Merino Physical Chemistry Chemical Physics 17 (14), 8769-8775, 2015 | 66 | 2015 |
Structural evolution of small gold clusters doped by one and two boron atoms R Grande‐Aztatzi, PR Martínez‐Alanis, JL Cabellos, E Osorio, A Martínez, ... Journal of computational chemistry 35 (32), 2288-2296, 2014 | 65 | 2014 |
Li 2 B 24: the simplest combination for a three-ring boron tube X Dong, S Jalife, A Vásquez-Espinal, J Barroso, M Orozco-Ic, E Ravell, ... Nanoscale 11 (5), 2143-2147, 2019 | 61 | 2019 |
Eyringpy 1.0. 2 E Dzib, JL Cabellos, F Ortiz-Chi, S Pan, A Galano, G Merino Cinvestav, Mérida, Yucatán, 2018 | 57 | 2018 |
Graphene and graphane functionalization with hydrogen: electronic and optical signatures AI Shkrebtii, E Heritage, P McNelles, JL Cabellos, BS Mendoza physica status solidi c 9 (6), 1378-1383, 2012 | 57 | 2012 |
How many water molecules does it take to dissociate HCl? A Vargas‐Caamal, JL Cabellos, F Ortiz‐Chi, HS Rzepa, A Restrepo, ... Chemistry–A European Journal 22 (8), 2812-2818, 2016 | 54 | 2016 |
Photoinduced C–C reactions on insulators toward photolithography of graphene nanoarchitectures CA Palma, K Diller, R Berger, A Welle, J Björk, JL Cabellos, ... Journal of the American Chemical Society 136 (12), 4651-4658, 2014 | 54 | 2014 |
Understanding charge transfer in donor–acceptor/metal systems: A combined theoretical and experimental study JL Cabellos, DJ Mowbray, E Goiri, A El-Sayed, L Floreano, DG De Oteyza, ... The Journal of Physical Chemistry C 116 (34), 17991-18001, 2012 | 52 | 2012 |
Effects of nonlocality on second-harmonic generation in bulk semiconductors JL Cabellos Phys. Rev. B 80, 155205 – Published 28 October 2009 80, 2009 | 51 | 2009 |
How strong are the metallocene–metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene A Vargas-Caamal, S Pan, F Ortiz-Chi, JL Cabellos, RA Boto, ... Physical Chemistry Chemical Physics 18 (1), 550-556, 2016 | 49 | 2016 |