Jose M. Mercero
Jose M. Mercero
UPV/EHU
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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
Water-promoted hydrolysis of a highly twisted amide: Rate acceleration caused by the twist of the amide bond
JI Mujika, JM Mercero, X Lopez
Journal of the American Chemical Society 127 (12), 4445-4453, 2005
1272005
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
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
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
902015
A joint experimental and theoretical study of cation− π interactions: multiple-decker sandwich complexes of ferrocene with alkali metal ions (Li+, Na+, K+, Rb+, Cs+)
AH Ilkhechi, JM Mercero, I Silanes, M Bolte, M Scheibitz, HW Lerner, ...
Journal of the American Chemical Society 127 (30), 10656-10666, 2005
712005
New Solids Based on B12N12 Fullerenes
JM Matxain, LA Eriksson, JM Mercero, X Lopez, M Piris, JM Ugalde, ...
The Journal of Physical Chemistry C 111 (36), 13354-13360, 2007
652007
Clusters of II−VI Materials:  CdiXi, X = S, Se, Te, i ≤ 16
JM Matxain, JM Mercero, JE Fowler, JM Ugalde
The Journal of Physical Chemistry A 108 (47), 10502-10508, 2004
592004
The ferrocene− lithium cation complex in the gas phase
A Irigoras, JM Mercero, I Silanes, JM Ugalde
Journal of the American Chemical Society 123 (21), 5040-5043, 2001
562001
Planar pentacoordinate carbons in CBe 5 4− derivatives
R Grande-Aztatzi, JL Cabellos, R Islas, I Infante, JM Mercero, A Restrepo, ...
Physical Chemistry Chemical Physics 17 (6), 4620-4624, 2015
542015
A Theoretical Evaluation of the pKa for Twisted Amides Using Density Functional Theory and Dielectric Continuum Methods
JI Mujika, JM Mercero, X Lopez
The Journal of Physical Chemistry A 107 (31), 6099-6107, 2003
542003
Planar tetracoordinate carbon in CE42−(E= Al–Tl) clusters
AC Castro, M Audiffred, JM Mercero, JM Ugalde, MA Méndez-Rojas, ...
Chemical Physics Letters 519, 29-33, 2012
532012
Small clusters of group-(II–VI) materials: Zn i X i, X= S e, T e, i= 1–9
JM Matxain, JM Mercero, JE Fowler, JM Ugalde
Physical Review A 64 (5), 053201, 2001
522001
Mono‐and Multidecker Sandwich‐Like Complexes of the Tetraazacyclobutadiene Aromatic Ring
JM Mercero, JM Matxain, JM Ugalde
Angewandte Chemie International Edition 43 (41), 5485-5488, 2004
492004
Hydrogen-bonding interactions between formic acid and pyridine
MJ Fernandez-Berridi, JJ Iruin, L Irusta, JM Mercero, JM Ugalde
The Journal of Physical Chemistry A 106 (16), 4187-4191, 2002
492002
A study of the coordination shell of aluminum (III) and magnesium (II) in model protein environments: thermodynamics of the complex formation and metal exchange reactions
E Rezabal, JM Mercero, X Lopez, JM Ugalde
Journal of inorganic biochemistry 100 (3), 374-384, 2006
452006
On the affinity regulation of the metal-ion-dependent adhesion sites in integrins
ES Sebastian, JM Mercero, RH Stote, A Dejaegere, FP Cossío, X Lopez
Journal of the American Chemical Society 128 (11), 3554-3563, 2006
422006
Quantum mechanical calculations on phosphate hydrolysis reactions
JM Mercero, P Barrett, CW Lam, JE Fowler, JM Ugalde, LG Pedersen
Journal of Computational Chemistry 21 (1), 43-51, 2000
422000
CBe 5 E−(E= Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters
AC Castro, G Martínez-Guajardo, T Johnson, JM Ugalde, Y Wu, ...
Physical Chemistry Chemical Physics 14 (43), 14764-14768, 2012
412012
Aluminium in biological environments: a computational approach
JI Mujika, E Rezabal, JM Mercero, F Ruipérez, D Costa, JM Ugalde, ...
Computational and structural biotechnology journal 9 (15), e201403002, 2014
402014
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