Accurate adsorption energies for small molecules on oxide surfaces CH4 /MgO(001) and C2 H6 /MgO(001)

von Boese, A Daniel
Veröffentlicht in: Journal of computational chemistry (2016)

Modeling environmental effects on charge density distributions in polar organometallics validation of embedded cluster models for the methyl lithium crystal

von Götz, Kathrin
Veröffentlicht in: Journal of computational chemistry (2010)

Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory

von Kerber, Torsten
Veröffentlicht in: Journal of computational chemistry (2008)