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The Journal of Physical Chemistry. B|July 28, 2006
Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bondJon I Mujika, Elena Formoso, Jose M Mercero, et al.Physical Chemistry Chemical Physics : PCCP|October 9, 2023
Rules governing metal coordination in Aβ-Zn(II) complex models from quantum mechanical calculationsJulen Aduriz-Arrizabalaga, Jose M Mercero, David De Sancho, et al.Journal of Chemical Theory and Computation|November 19, 2015
Benchmark Assessment of Density Functional Methods on Group II-VI MX (M = Zn, Cd; X = S, Se, Te) Quantum DotsJon M Azpiroz, Jesus M Ugalde, Ivan InfanteThe Journal of Chemical Physics|May 7, 2022
Does the composition in PtGe clusters play any role in fighting CO poisoning?Andoni Ugartemendia, Jose M Mercero, Abel de Cózar, et al.The Journal of Chemical Physics|July 30, 2005
Non-Born-Oppenheimer treatment of the H2 Hookean moleculeEduardo V Ludeña, Xabier Lopez, Jesus M UgaldeChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 11, 2010
Quantum chemical study of the reaction between Ni+ and H2SOier Lakuntza, Jon M Matxain, Jesus M UgaldeJournal of Chemical Theory and Computation|November 25, 2015
Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr2 Potential Energy SurfaceFernando Ruipérez, Francesco Aquilante, Jesus M Ugalde, et al.The Journal of Chemical Physics|December 28, 2006
Electron correlation in the 3 (1)Sigma(g)+ and 2 (1)Sigma(u)+ excited state lithium moleculeJian Wang, Lei Zhang, Yu Wang, et al.Inorganic Chemistry|March 8, 2013
Molecules with high bond orders and ultrashort bond lengths: CrU, MoU, and WUFernando Ruipérez, Gabriel Merino, Jesus M Ugalde, et al.The Journal of Physical Chemistry. A|June 13, 2015
Performance of PNOF6 for Hydrogen Abstraction ReactionsXabier Lopez, Mario Piris, Fernando Ruipérez, et al.Pageof 10