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The Journal of Chemical Physics|May 27, 2008
Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimerJon M Matxain, Elixabete Rezabal, Xabier Lopez, et al.
Physical Chemistry Chemical Physics : PCCP|February 19, 2016
Phosphorylation promotes Al(iii) binding to proteins: GEGEGSGG as a case studyRafael Grande-Aztatzi, Elena Formoso, Jon I Mujika, et al.
The Journal of Chemical Physics|September 24, 2025
Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron-phonon coupling, and electron-electron correlation. An application to NMR-based chiral discriminationEduardo V Ludeña, Jesus M Ugalde, Xabier Lopez, et al.
The Journal of Chemical Physics|July 23, 2004
A reinterpretation of the nature of the Fermi holeEduardo V Ludeña, Jesus M Ugalde, Xabier Lopez, et al.
Physical Chemistry Chemical Physics : PCCP|May 29, 2013
A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanoclusterJon M Azpiroz, Jon M Matxain, Ivan Infante, et al.
Physical Chemistry Chemical Physics : PCCP|August 19, 2014
Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1 : 1 complexesNoelia B Luque, Jon I Mujika, Elixabete Rezabal, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 6, 2015
The Electronic Structure of the Al3(-) Anion: Is it Aromatic?Jose M Mercero, Eduard Matito, Fernando Ruipérez, et al.
Chemistryopen|April 13, 2019
The Coulomb Hole of the Ne AtomMauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Xabier Lopez, et al.
Computational and Structural Biotechnology Journal|April 24, 2014
Aluminium in biological environments: a computational approachJon I Mujika, Elixabete Rezabal, Jose M Mercero, et al.
The Journal of Organic Chemistry|May 3, 1996
Solvent and Substituent Effects in the Periselectivity of the Staudinger Reaction between Ketenes and alpha,beta-Unsaturated Imines. A Theoretical and Experimental StudyBegoña Lecea, Iosune Arrastia, Ana Arrieta, et al.
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