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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 Physical Chemistry. A|May 21, 2014
Doped aluminum cluster anions: size mattersElisa Jimenez-Izal, Diego Moreno, Jose M Mercero, et al.Journal of the American Chemical Society|July 28, 2005
A joint experimental and theoretical study of cation-pi interactions: multiple-decker sandwich complexes of ferrocene with alkali metal ions (Li+, Na+, K+, Rb+, Cs+)Alireza Haghiri Ilkhechi, Jose M Mercero, Iñaki Silanes, et al.Nanotechnology|July 6, 2011
Electronic excitation energies of Zn(i)S(i) nanoparticlesJon M Matxain, Leif A Eriksson, Jose M Mercero, et al.The Journal of Physical Chemistry. A|June 11, 2010
Bond paths show preferable interactions: ab initio and QTAIM studies on the X-H...pi hydrogen bondSławomir J Grabowski, Jesus M UgaldeThe Journal of Physical Chemistry Letters|November 28, 2024
Time-Resolved Chemical Bonding Structure Evolution by Direct-Dynamics Chemical SimulationsMario Piris, Xabier Lopez, Jesus M UgaldeInorganic Chemistry|September 8, 2011
Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 studyFernando Ruipérez, Jesus M Ugalde, Ivan InfanteChemistry (Weinheim an Der Bergstrasse, Germany)|January 30, 2016
The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional PerspectiveMario Piris, Xabier Lopez, Jesus M UgaldeThe Journal of Chemical Physics|June 10, 2008
Electron-pair density relaxation holesMario Piris, Xabier Lopez, Jesus M UgaldeJournal of Computational Chemistry|July 11, 2012
Electron-pair density decomposition for core-valence separable systemsJian Wang, Yu Wang, Jesus M UgaldePageof 10