| Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules A Nikiforov, JA Gamez, W Thiel, M Huix-Rotllant, M Filatov The Journal of chemical physics 141 (12), 2014 | 88 | 2014 |
| Computational design of a family of light-driven rotary molecular motors with improved quantum efficiency A Nikiforov, JA Gamez, W Thiel, M Filatov The Journal of Physical Chemistry Letters 7 (1), 105-110, 2016 | 78 | 2016 |
| Cooperating Dinitrogen and Phenyl Rotations in trans-Azobenzene Photoisomerization JA Gamez, O Weingart, A Koslowski, W Thiel Journal of chemical theory and computation 8 (7), 2352-2358, 2012 | 74 | 2012 |
| The di-interstitial in graphite CD Latham, MI Heggie, JA Gámez, I Suarez-Martinez, CP Ewels, ... Journal of physics: condensed matter 20 (39), 395220, 2008 | 46 | 2008 |
| Simulating quantum chemistry in the seniority-zero space on qubit-based quantum computers VE Elfving, M Millaruelo, JA Gámez, C Gogolin Physical Review A 103 (3), 032605, 2021 | 45 | 2021 |
| Torands Revisited: Metal Sequestration and Self‐Assembly of Cyclo‐2, 9‐tris‐1, 10‐phenanthroline Hexaaza Macrocycles MG Schwab, M Takase, A Mavrinsky, W Pisula, X Feng, JA Gámez, ... Chemistry–A European Journal 21 (23), 8426-8434, 2015 | 25 | 2015 |
| Gallium Halides as Alternative Ligands to CO and N2 in Transition Metal Complexes: A Bonding Analysis JA Gamez, R Tonner, G Frenking Organometallics 29 (21), 5676-5680, 2010 | 25 | 2010 |
| Electron capture activation of the disulfide bond. The role of the asymmetry and electronegativity JA Gámez, L Serrano-Andrés, M Yáñez Physical Chemistry Chemical Physics 12 (5), 1042-1050, 2010 | 23 | 2010 |
| Periodic decay in the photoisomerisation of p-aminoazobenzene JA Gámez, O Weingart, A Koslowski, W Thiel Physical Chemistry Chemical Physics 15 (28), 11814-11821, 2013 | 17 | 2013 |
| Asymmetry and electronegativity in the electron capture activation of the Se− Se Bond: σ*(Se− Se) vs σ*(Se− X) JA Gamez, M Yanez Journal of Chemical Theory and Computation 6 (10), 3102-3112, 2010 | 17 | 2010 |
| Enhanced E→ Z photoisomerisation in 2-aminoazobenzene JA Gámez, A Koslowski, W Thiel RSC Advances 4 (4), 1886-1889, 2014 | 15 | 2014 |
| Is Se–Se bond cleavage the most favourable process in electron attachment to diselenides? The importance of asymmetry JA Gámez, M Yáñez Chemical communications 47 (13), 3939-3941, 2011 | 15 | 2011 |
| Computational study on the kinetics of the reaction between Ca2+ and urea A Cimas, JA Gámez, O Mó, M Yáñez, JY Salpin Chemical Physics Letters 456 (4-6), 156-161, 2008 | 15 | 2008 |
| Strong Dissimilarities Between the Gas‐Phase Acidities of Saturated and α, β‐Unsaturated Boranes and the Corresponding Alanes and Gallanes JA Gámez, JC Guillemin, O Mó, M Yáñez Chemistry–A European Journal 14 (7), 2201-2208, 2008 | 15 | 2008 |
| [FAAF]− (A = O, S, Se, Te) or How Electrostatic Interactions Influence the Nature of the Chemical Bond JA Gamez, M Yañez Journal of Chemical Theory and Computation 9 (12), 5211-5215, 2013 | 10 | 2013 |
| Asymmetry and non‐adiabaticity in fragmentation of disulfide bonds upon electron capture JA Gámez, L Serrano‐Andrés, M Yáñez ChemPhysChem 11 (12), 2530-2538, 2010 | 9 | 2010 |
| Compatibilization efficiency of graft copolymers in incompatible polymer blends: Dissipative particle dynamics simulations combined with machine learning T Zhou, D Qiu, Z Wu, SAN Alberti, S Bag, J Schneider, J Meyer, JA Gámez, ... Macromolecules 55 (17), 7893-7907, 2022 | 8 | 2022 |
| Electron attachment to diselenides revisited: Se–Se bond cleavage is neither adiabatic nor the most favorable process JA Gamez, M Yanez Journal of Chemical Theory and Computation 7 (6), 1726-1735, 2011 | 8 | 2011 |
| An automated method for graph‐based chemical space exploration and transition state finding P Ramos‐Sánchez, JN Harvey, JA Gámez Journal of Computational Chemistry 44 (1), 27-42, 2023 | 7 | 2023 |
| Two‐and three‐state conical intersections in the electron capture dissociation of disulfides: The importance of multireference calculations JA Gámez, L Serrano‐andrés, M Yáñez International Journal of Quantum Chemistry 111 (13), 3316-3323, 2011 | 7 | 2011 |
