| The cambridge cluster database DJ Wales, JPK Doye, A Dullweber, MP Hodges, FY Naumkin, F Calvo, ... | 350 | 2001 |
| Global minima for water clusters (H2O) n, n⩽ 21, described by a five-site empirical potential T James, DJ Wales, J Hernández-Rojas Chemical Physics Letters 415 (4-6), 302-307, 2005 | 182 | 2005 |
| Crystals of binary Lennard-Jones solids TF Middleton, J Hernández-Rojas, PN Mortenson, DJ Wales Physical Review B 64 (18), 184201, 2001 | 98 | 2001 |
| Global minima and energetics of Li+ (H2O) n and Ca2+ (H2O) n clusters for n⩽ 20 BS González, J Hernández-Rojas, DJ Wales Chemical physics letters 412 (1-3), 23-28, 2005 | 66 | 2005 |
| Energy landscapes for water clusters in a uniform electric field T James, DJ Wales, J Hernández Rojas The Journal of chemical physics 126 (5), 2007 | 61 | 2007 |
| Global Potential Energy Minima of C60(H2O)n Clusters J Hernández-Rojas, J Bretón, JM Gomez Llorente, DJ Wales The Journal of Physical Chemistry B 110 (27), 13357-13362, 2006 | 58 | 2006 |
| Confinement effects on water clusters inside carbon nanotubes J Hernández-Rojas, F Calvo, J Bretón, JM Gomez Llorente The Journal of Physical Chemistry C 116 (32), 17019-17028, 2012 | 57 | 2012 |
| Global minima for rare gas clusters containing one alkali metal ion J Hernández-Rojas, DJ Wales The Journal of chemical physics 119 (15), 7800-7804, 2003 | 53 | 2003 |
| Energy landscapes for shells assembled from pentagonal and hexagonal pyramids SN Fejer, TR James, J Hernandez-Rojas, DJ Wales Physical Chemistry Chemical Physics 11 (12), 2098-2104, 2009 | 46 | 2009 |
| Microcanonical versus canonical analysis of protein folding J Hernández-Rojas, JM Gomez Llorente Physical review letters 100 (25), 258104, 2008 | 46 | 2008 |
| Global Potential Energy Minima of (H2O)n Clusters on Graphite BS González, J Hernández-Rojas, J Bretón, JM Gomez Llorente The Journal of Physical Chemistry C 111 (40), 14862-14869, 2007 | 40 | 2007 |
| Rotational spectra for off‐center endohedral atoms at C60 fullerene J Hernández‐Rojas, J Bretón, JM Gomez Llorente The Journal of chemical physics 104 (4), 1179-1186, 1996 | 38 | 1996 |
| Coronene molecules in helium clusters: Quantum and classical studies of energies and configurations R Rodríguez-Cantano, R Perez de Tudela, M Bartolomei, MI Hernández, ... The Journal of Chemical Physics 143 (22), 2015 | 36 | 2015 |
| Modeling water clusters on cationic carbonaceous seeds J Hernández-Rojas, F Calvo, F Rabilloud, J Bretón, JM Gomez Llorente The Journal of Physical Chemistry A 114 (27), 7267-7274, 2010 | 35 | 2010 |
| Thermodynamics of water octamer in a uniform electric field J Hernández-Rojas, BS González, T James, DJ Wales The Journal of chemical physics 125 (22), 2006 | 34 | 2006 |
| Lithium ions solvated in helium M Rastogi, C Leidlmair, LA der Lan, JO de Zárate, RP de Tudela, ... Physical Chemistry Chemical Physics 20 (40), 25569-25576, 2018 | 33 | 2018 |
| Adsorption of molecular hydrogen on coronene with a new potential energy surface M Bartolomei, RP de Tudela, K Arteaga, T González-Lezana, ... Physical Chemistry Chemical Physics 19 (38), 26358-26368, 2017 | 29 | 2017 |
| Coarse-graining the structure of polycyclic aromatic hydrocarbons clusters J Hernández-Rojas, F Calvo, DJ Wales Physical Chemistry Chemical Physics 18 (20), 13736-13740, 2016 | 27 | 2016 |
| The Cambridge Cluster Database http://www-wales. ch. cam. ac. uk DJ Wales, JPK Doye, A Dullweber, MP Hodges, FY Naumkin, F Calvo, ... CCD. html, 2005 | 25 | 2005 |
| Optimal covering of C60 fullerene by rare gases S Acosta-Gutiérrez, J Bretón, JM Llorente, J Hernández-Rojas The Journal of Chemical Physics 137 (7), 2012 | 24 | 2012 |
