Publications by authors named "Jose M Mercero"

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Ultra-Low Atomic Diffusion Barrier on Two-Dimensional Materials: The Case of Pt on Epitaxial Graphene.
Andrea Berti, Ramón M Bergua, Jose M Mercero, Deborah Perco, Paolo Lacovig

ACS Nano· October 2025

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The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization Indices.
Rafael Grande-Aztazi, Eduard Matito, Jesus M Ugalde, Jose M Mercero

Chemphyschem· February 2025

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Doping Efects on Ethane/Ethylene Dehydrogenation Catalyzed by PtX Nanoclusters.
Andoni Ugartemendia, José M Mercero, Elisa Jimenez-Izal, Abel de Cózar

Chemphyschem· June 2024

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Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects.
Sílvia Escayola, Elisa Jimenez-Izal, Eduard Matito, Jesus M Ugalde, Rafael Grande-Aztatzi, Jose M Mercero

Phys Chem Chem Phys· April 2024

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Rules governing metal coordination in Aβ-Zn(II) complex models from quantum mechanical calculations.
Julen Aduriz-Arrizabalaga, Jose M Mercero, David De Sancho, Xabier Lopez

Phys Chem Chem Phys· October 2023

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Rigidified Bis(sulfonyl)ethylenes as Effective Michael Acceptors for Asymmetric Catalysis: Application to the Enantioselective Synthesis of Quaternary Hydantoins.
Leire Villaescusa, Iker Hernández, Laura Azcune, Ainhoa Rudi, José M Mercero

J Org Chem· January 2023

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Does the composition in PtGe clusters play any role in fighting CO poisoning?
Andoni Ugartemendia, Jose M Mercero, Abel de Cózar, Elisa Jimenez-Izal

J Chem Phys· May 2022

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Publisher's Note: "Does the composition in PtGe clusters play any role in fighting CO poisoning?" [J. Chem. Phys. 156, 174301 (2022)].
Andoni Ugartemendia, Jose M Mercero, Abel de Cózar, Elisa Jimenez-Izal

J Chem Phys· May 2022

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Experiment and Theory Clarify: Sc Receives One Oxygen Atom from SO to Form ScO , which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO.
Jose M Mercero, Elixabete Rezabal, Jesus M Ugalde, Thomas Weiske, Jilai Li

Chemphyschem· March 2022

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Doping Platinum with Germanium: An Effective Way to Mitigate the CO Poisoning.
Andoni Ugartemendia, Kristien Peeters, Piero Ferrari, Abel de Cózar, Jose M Mercero

Chemphyschem· August 2021

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Electronic Structure and Electron Delocalization in Bare and Dressed Boron Pentamer Clusters.
Jose M Mercero, Jesus M Ugalde

J Phys Chem A· June 2021

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Asymmetric Synthesis of Adjacent Tri- and Tetrasubstituted Carbon Stereocenters: Organocatalytic Aldol Reaction of an Hydantoin Surrogate with Azaarene 2-Carbaldehydes.
June Izquierdo, Noémie Demurget, Aitor Landa, Tore Brinck, Jose M Mercero

Chemistry· September 2019

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Correction: The stability of biradicaloid versus closed-shell [E(μ-XR)] (E = P, As; X = N, P, As) rings. Does aromaticity play a role?
Rafael Grande-Aztatzi, Jose M Mercero, Jesus M Ugalde

Phys Chem Chem Phys· May 2018

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Correction: The aromaticity of dicupra[10]annulenes.
Rafael Grande-Aztatzi, Jose M Mercero, Eduard Matito, Gernot Frenking, Jesus M Ugalde

Phys Chem Chem Phys· May 2017

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The aromaticity of dicupra[10]annulenes.
Rafael Grande-Aztatzi, Jose M Mercero, Eduard Matito, Gernot Frenking, Jesus M Ugalde

Phys Chem Chem Phys· April 2017

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The stability of biradicaloid versus closed-shell [E(μ-XR)]2 (E = P, As; X = N, P, As) rings. Does aromaticity play a role?
Rafael Grande-Aztatzi, Jose M Mercero, Jesus M Ugalde

Phys Chem Chem Phys· April 2016

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Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclusters.
Rafael Grande-Aztatzi, Elena Formoso, Jose M Mercero, Jon M Matxain, Slawomir J Grabowski

J Chem Phys· March 2016

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Recent developments and future prospects of all-metal aromatic compounds.
Jose M Mercero, Alexander I Boldyrev, Gabriel Merino, Jesus M Ugalde

Chem Soc Rev· September 2015

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The Electronic Structure of the Al3(-) Anion: Is it Aromatic?
Jose M Mercero, Eduard Matito, Fernando Ruipérez, Ivan Infante, Xabier Lopez

Chemistry· June 2015

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Planar pentacoordinate carbons in CBe5(4-) derivatives.
Rafael Grande-Aztatzi, José Luis Cabellos, Rafael Islas, Ivan Infante, José M Mercero

Phys Chem Chem Phys· February 2015

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Aluminium in biological environments: a computational approach.
Jon I Mujika, Elixabete Rezabal, Jose M Mercero, Fernando Ruipérez, Dominique Costa

Comput Struct Biotechnol J· June 2014

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Doped aluminum cluster anions: size matters.
Elisa Jimenez-Izal, Diego Moreno, Jose M Mercero, Jon M Matxain, Martha Audiffred

J Phys Chem A· June 2014

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Re-examination of the C(6)Li(6) structure: to be, or not to be symmetric.
Diego Moreno, Gerardo Martínez-Guajardo, Andrés Díaz-Celaya, José M Mercero, Romeo de Coss

Chemistry· September 2013

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CBe5E- (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters.
Abril C Castro, Gerardo Martínez-Guajardo, Thomas Johnson, Jesus M Ugalde, Yan-bo Wu, José M Mercero

Phys Chem Chem Phys· November 2012

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Sandwich complexes of the metalloaromatic eta(3)-Al3R3 ligand.
Jose M Mercero, Mario Piris, Jon M Matxain, Xabier Lopez, Jesus M Ugalde

J Am Chem Soc· May 2009

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