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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 29, 2024
The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization IndicesRafael Grande-Aztazi, Eduard Matito, Jesus M Ugalde, et al.Journal of Inorganic Biochemistry|December 31, 2018
Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserineElena Formoso, Rafael Grande-Aztatzi, Xabier LopezChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 23, 2021
Experiment and Theory Clarify: Sc<sup>+</sup> Receives One Oxygen Atom from SO<sub>2</sub> to Form ScO<sup>+</sup> , which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO<sub>2</sub>Jose M Mercero, Elixabete Rezabal, Jesus M Ugalde, et al.Journal of Chemical Theory and Computation|November 21, 2015
New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter IndicesFerran Feixas, Miquel Solà, Juan M Barroso, et al.Journal of the American Chemical Society|August 2, 2003
Electronic excitation energies of Zn(i)O(i) clustersJon M Matxain, Jose M Mercero, Joseph E Fowler, et al.Annual Review of Biophysics|February 9, 2021
Learning to Model G-Quadruplexes: Current Methods and PerspectivesIker Ortiz de Luzuriaga, Xabier Lopez, Adrià GilPhysical Chemistry Chemical Physics : PCCP|June 5, 2018
Aluminum and Fenton reaction: how can the reaction be modulated by speciation? A computational study using citrate as a test caseJon I Mujika, Gabriele Dalla Torre, Xabier LopezThe Journal of Physical Chemistry. B|March 31, 2009
Modeling protein splicing: reaction pathway for C-terminal splice and intein scissionJon I Mujika, Xabier Lopez, Adrian J MulhollandJournal of the American Chemical Society|June 17, 2004
Hybrid QM/MM study of thio effects in transphosphorylation reactions: the role of solvationBrent A Gregersen, Xabier Lopez, Darrin M YorkJournal of the American Chemical Society|March 24, 2005
Water-promoted hydrolysis of a highly twisted amide: rate acceleration caused by the twist of the amide bondJon Iñaki Mujika, Jose Maria Mercero, Xabier LopezPageof 18