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Density functional theory artifacts

K. Tonigold and A. GroK, Adsorption of small aromatic molecules on the (111) surfaces of noble metals A density functional theory study with semiempirical corrections for dispersion effects,/ Chem. Phys., 2010,132. J. V. Koppen, M. Hapka, M. Modrzejewski, M. M. Szcz sniak and G. Chalasihski, Density functional theory approach to gold-ligand interactions Separating true effects from artifacts, / Chem. Phys., 2014, 140, 244313. [Pg.343]

See other pages where Density functional theory artifacts is mentioned: [Pg.148]    [Pg.22]    [Pg.224]    [Pg.54]    [Pg.2101]    [Pg.57]    [Pg.225]    [Pg.111]    [Pg.111]    [Pg.350]   
See also in sourсe #XX -- [ Pg.109 , Pg.137 , Pg.142 ]



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