Jesus M. Ugalde. Prof. of Chemistry
Jesus M. Ugalde. Prof. of Chemistry
Euskal Herriko Unibertsitatea (UPV/EHU) and Donostia International Physics Center (DIPC)
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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
2592000
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
1891993
Small clusters of II-VI materials: Zn i S i, i= 1–9
JM Matxain, JE Fowler, JM Ugalde
Physical Review A 61 (5), 053201, 2000
1872000
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
1482000
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
1401999
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
1301994
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
1292000
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
1282005
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
1252004
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
1231994
Unexpected trends in halogen-bond based noncovalent adducts
SM Huber, E Jimenez-Izal, JM Ugalde, I Infante
Chemical Communications 48 (62), 7708-7710, 2012
1222012
A natural orbital functional for multiconfigurational states
M Piris, X Lopez, F Ruipérez, JM Matxain, JM Ugalde
The Journal of chemical physics 134 (16), 164102, 2011
1212011
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
1202013
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
1201997
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
1182004
Structure and properties of ZnS nanoclusters
S Hamad, CRA Catlow, E Spano, JM Matxain, JM Ugalde
The Journal of Physical Chemistry B 109 (7), 2703-2709, 2005
1162005
Electronic excitation energies of Zn i O i clusters
JM Matxain, JM Mercero, JE Fowler, JM Ugalde
Journal of the American Chemical Society 125 (31), 9494-9499, 2003
1062003
Reactivity of Sc+ (3D, 1D) and V+ (5D, 3F): Reaction of Sc+ and V+ with Water
A Irigoras, JE Fowler, JM Ugalde
Journal of the American Chemical Society 121 (3), 574-580, 1999
1061999
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
1032011
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
1012012
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20