| Water clusters: Towards an understanding based on first principles of their static and dynamic properties JM Ugalde, I Alkorta, J Elguero Angewandte Chemie International Edition 39 (4), 717-721, 2000 | 270 | 2000 |
| A semiempirical theoretical study on the formation of. beta.-lactams from ketenes and imines FP Cossio, JM Ugalde, X Lopez, B Lecea, C Palomo Journal of the American Chemical Society 115 (3), 995-1004, 1993 | 204 | 1993 |
| Small clusters of II-VI materials: JM Matxain, JE Fowler, JM Ugalde Physical Review A 61 (5), 053201, 2000 | 191 | 2000 |
| Measuring the spin‐polarization power of a single chiral molecule AC Aragonès, E Medina, M Ferrer‐Huerta, N Gimeno, M Teixidó, ... small, 1602519, 2017 | 175 | 2017 |
| The curiously stable cluster and its neutral and anionic counterparts: the advantages of planarity JE Fowler, JM Ugalde The Journal of Physical Chemistry A 104 (2), 397-403, 2000 | 171 | 2000 |
| On the directionality of halogen bonding SM Huber, JD Scanlon, E Jimenez-Izal, JM Ugalde, I Infante Physical Chemistry Chemical Physics 15 (25), 10350-10357, 2013 | 160 | 2013 |
| Reactivity of Cr+(6S,4D), Mn+(7S,5S), and Fe+(6D,4F): Reaction of Cr+, Mn+, and Fe+ with Water A Irigoras, JE Fowler, JM Ugalde Journal of the American Chemical Society 121 (37), 8549-8558, 1999 | 152 | 1999 |
| Unexpected trends in halogen-bond based noncovalent adducts SM Huber, E Jimenez-Izal, JM Ugalde, I Infante Chemical communications 48 (62), 7708-7710, 2012 | 149 | 2012 |
| A natural orbital functional for multiconfigurational states M Piris, X Lopez, F Ruipérez, JM Matxain, JM Ugalde The Journal of chemical physics 134 (16), 2011 | 148 | 2011 |
| Pro-oxidant activity of aluminum: promoting the Fenton reaction by reducing Fe (III) to Fe (II) F Ruipérez, JI Mujika, JM Ugalde, C Exley, X Lopez Journal of inorganic biochemistry 117, 118-123, 2012 | 144 | 2012 |
| Reactivity of Co+(3F,5F), Ni+(2D,4F), and Cu+(1S,3D): Reaction of Co+, Ni+, and Cu+ with Water A Irigoras, O Elizalde, I Silanes, JE Fowler, JM Ugalde Journal of the American Chemical Society 122 (1), 114-122, 2000 | 140 | 2000 |
| Recent developments and future prospects of all-metal aromatic compounds JM Mercero, AI Boldyrev, G Merino, JM Ugalde Chemical Society Reviews 44 (18), 6519-6534, 2015 | 137 | 2015 |
| Theoretical methods that help understanding the structure and reactivity of gas phase ions JM Mercero, JM Matxain, X Lopez, DM York, A Largo, LA Eriksson, ... International Journal of Mass Spectrometry 240 (1), 37-99, 2005 | 132 | 2005 |
| Theoretical study of two-state reactivity of transition metal cations: the “difficult” case of iron ion interacting with water, ammonia, and methane S Chiodo, O Kondakova, MC Michelini, N Russo, E Sicilia, A Irigoras, ... The Journal of Physical Chemistry A 108 (6), 1069-1081, 2004 | 131 | 2004 |
| Catalytic and solvent effects on the cycloaddition reaction between ketenes and carbonyl compounds to form 2-oxetanones B Lecea, A Arrieta, G Roa, JM Ugalde, FP Cossio Journal of the American Chemical Society 116 (21), 9613-9619, 1994 | 131 | 1994 |
| Chiral control in the staudinger reaction between ketenes and imines. A theoretical SCF-MO study on asymmetric torquoselectivity FP Cossio, A Arrieta, B Lecea, JM Ugalde Journal of the American Chemical Society 116 (5), 2085-2093, 1994 | 130 | 1994 |
| Unravelling phenomenon of internal rotation in B 13+ through chemical bonding analysis G Martínez-Guajardo, AP Sergeeva, AI Boldyrev, T Heine, JM Ugalde, ... Chemical Communications 47 (22), 6242-6244, 2011 | 128 | 2011 |
| Structure and properties of ZnS nanoclusters S Hamad, CRA Catlow, E Spanó, JM Matxain, JM Ugalde The Journal of Physical Chemistry B 109 (7), 2703-2709, 2005 | 126 | 2005 |
| Absence of a``Threshold Effect''in the Energy Loss of Slow Protons Traversing Large-Band-Gap Insulators K Eder, D Semrad, P Bauer, R Golser, P Maier-Komor, F Aumayr, ... Physical review letters 79 (21), 4112, 1997 | 124 | 1997 |
| Sandwich-Like Complexes Based on “All-Metal” (Al42-) Aromatic Compounds JM Mercero, JM Ugalde Journal of the American Chemical Society 126 (11), 3380-3381, 2004 | 119 | 2004 |
