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Physical Chemistry Chemical Physics : PCCP|September 25, 2014
A study on adatom transport through (√3 × √3)-R30°-CH3S self-assembled monolayers on Au(111) using first principles calculationsD Paulius, D Torres, F Illas, et al.Physical Review Letters|December 13, 2006
Evidence for the formation of different energetically similar atomic structures in Ag(111)-(square root[7] x square root[7])-R19.1 degrees-CH3SD Torres, P Carro, R C Salvarezza, et al.The Journal of Physical Chemistry Letters|August 22, 2015
Mechanisms of Defect Generation and Clustering in CH3S Self-Assembled Monolayers on Au(111)P Carro, D Torres, R Diaz, et al.Physical Review Letters|December 17, 2004
First principles analysis of the stability and diffusion of oxygen vacancies in metal oxidesJ Carrasco, N Lopez, F IllasJournal of Computational Chemistry|May 13, 2004
Putting error bars on the ab initio theoretical estimates of the magnetic coupling constants: the parent compounds of superconducting cuprates as a case studyD Muñoz, C de Graaf, F IllasMolecular Pharmacology|October 1, 1987
On the mechanism of histamine H2 receptor activationF J Luque, F Illas, R PouplanaThe Journal of Chemical Physics|October 23, 2012
Long range coupling between defect centres in inorganic nanostructures: valence alternation pairs in nanoscale silicaM A Zwijnenburg, F Illas, S T BromleyThe Journal of Chemical Physics|September 1, 2006
Bulk and surface oxygen vacancy formation and diffusion in single crystals, ultrathin films, and metal grown oxide structuresJ Carrasco, N Lopez, F Illas, et al.Physical Chemistry Chemical Physics : PCCP|December 17, 2005
The interaction of CO2 with sodium-promoted W(011)F Viñes, A Borodin, O Höfft, et al.Chemical Communications (Cambridge, England)|February 27, 2015
Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchangeA Notario-Estévez, S M Kozlov, F Viñes, et al.Pageof 54