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
271 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
205 1993 Small clusters of II-VI materials: JM Matxain, JE Fowler, JM Ugalde
Physical Review A 61 (5), 053201, 2000
192 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
182 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
172 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
161 2013 Reactivity of Cr+ (6 S,4 D), Mn+ (7 S,5 S), and Fe+ (6 D,4 F): 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
151 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
151 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
149 2012 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
144 2015 Reactivity of Co+ (3 F,5 F), Ni+ (2 D,4 F), and Cu+ (1 S,3 D): 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 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
136 2011 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
133 2005 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
132 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
132 1994 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 A chirality-based quantum leap CD Aiello, JM Abendroth, M Abbas, A Afanasev, S Agarwal, AS Banerjee, ...
ACS nano 16 (4), 4989-5035, 2022
130 2022 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
127 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 