On the Prediction of Graphene’s Elastic Properties with Reactive Empirical Bond Order Potentials A Gamboa, GL Vignoles, JM Leyssale Carbon 89, 176-187, 2015 | 35 | 2015 |
Dehydrogenation effects on the stability of aromatic units in polycyclic aromatic hydrocarbons in the interstellar medium: A computational study at finite temperature P Parneix, A Gamboa, C Falvo, MA Bonnin, T Pino, F Calvo Molecular Astrophysics 7, 9-18, 2017 | 21 | 2017 |
Renormalization of the rotational constants of an ammonia molecule seeded into a 4He droplet AG Suárez, JA Ramilowski, RM Benito, D Farrelly Chemical Physics Letters 502 (1-3), 14-22, 2011 | 21 | 2011 |
Mechanism of Strength Reduction along the Graphenization Pathway. A Gamboa, B Farbos, P Aurel, GL Vignoles, JM Leyssale Science Advances 1 (10), 2015 | 18 | 2015 |
Low-Energy Vibrational Spectra of Flexible Diphenyl Molecules: Biphenyl, Diphenylmethane, Bibenzyl and 2-, 3-and 4-Phenyltoluene MA Martin-Drumel, O Pirali, C Falvo, P Parneix, A Gamboa, F Calvo, ... PCCP 16 (40), 22062-22072, 2014 | 16 | 2014 |
Microscopic Superfluidity in He 4 Clusters Stirred by a Rotating Impurity Molecule A Wairegi, A Gamboa, AD Burbanks, EA Lee, D Farrelly Phys. Rev. Lett. 112 (14), 143401, 2014 | 10 | 2014 |
Is Br2 hydration hydrophobic? A Alcaraz-Torres, A Gamboa-Suárez, MI Bernal-Uruchurtu The Journal of Chemical Physics 146 (8), 2017 | 7 | 2017 |
Formation of the extreme Kuiper-belt binary 2001 QW322 through adiabatic switching of orbital elements A Gamboa Suárez, D Hestroffer, D Farrelly Celestial Mechanics and Dynamical Astronomy 106, 245-259, 2010 | 7 | 2010 |
Nature of the valence excited states of bromine in the T and P clathrate cages FA Batista-Romero, A Gamboa-Suárez, R Hernández-Lamoneda, ... The Journal of Chemical Physics 146 (14), 2017 | 6 | 2017 |
Chaos in the Classical Mechanics of Bound and Quasi-Bound HX–4 He Complexes with X= F, Cl, Br, CN. A Gamboa, H Hernández, JA Ramilowski, JC Losada, RM Benito, ... PCCP 11 (37), 8203-8213, 2009 | 5 | 2009 |
Mechanical properties of pristine and nanocrystalline graphene up to ultra-high temperatures A Gamboa-Suárez, HY Seuret-Hernández, JM Leyssale Carbon Trends 9, 100197, 2022 | 3 | 2022 |
A DFT study of the adsorption and surface enhanced Raman spectroscopy of pyridine on Au20, Ag20, and bimetallic Ag8Au12 clusters HY Seuret-Hernández, A Gamboa-Suaréz, C Morera-Boado Journal of Molecular Graphics and Modelling 115, 108234, 2022 | 3 | 2022 |
Automatic Differentiation of the Energy within Self-Consistent Tight-Binding Methods. A Gamboa, M Rapacioli, F Spiegelman Journal of Chemical Theory and Computation 9, 3900-3907, 2013 | 3 | 2013 |
Density Functional Study on the Fundamental and Valence Excited States of Dibromine in T, P, and H Clathrate Cages C Morera-Boado, A Gamboa-Suárez, MI Bernal-Uruchurtu, ... The Journal of Physical Chemistry A 124 (38), 7692-7709, 2020 | 2 | 2020 |
Irreversibilidades internas y externas en el teorema o desigualdad de Clausius FA Merino, AG Suárez, YB Fernández, ER Rincón Tecnología y desarrollo 2, 11, 2004 | 1 | 2004 |
Local structure of liquid oxygen up to supercritical conditions from ab initio pair potentials A Alcaraz-Torres, A Gamboa-Suárez, J Hernández-Cobos, ... Physical Review B 107 (13), 134304, 2023 | | 2023 |
Halogen bonding and rotational disorder in chlorine clathrate hydrate cages D Ochoa-Resendiz, A Gamboa-Suárez, R Hernández-Lamoneda The Journal of Chemical Physics 156 (12), 2022 | | 2022 |
Isomerization kinetics of flexible molecules in the gas phase: Atomistic versus coarse-grained sampling C Falvo, A Gamboa-Suárez, S Cazayus-Claverie, P Parneix, F Calvo The Journal of Chemical Physics 149 (7), 2018 | | 2018 |
Structures and IR spectral signatures of hydrocarbon nanoparticles MA Bonnin, A Gamboa, C Falvo, F Calvo, T Pino, P Parneix | | 2016 |
Mechanism of strength reduction along the graphenization pathway of polycrystalline graphene A Gamboa, B Farbos, P Aurel, G Vignoles, JM Leyssale ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |