Assessment of density functional methods for reaction energetics iridium-catalyzed water oxidation as case study

von Kazaryan, Andranik
Veröffentlicht in: Journal of computational chemistry (2013)

Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range

von Sheng, Xiao Wei
Veröffentlicht in: Journal of computational chemistry (2011)

Voronoi deformation density (VDD) charges Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis

von Fonseca Guerra, Célia
Veröffentlicht in: Journal of computational chemistry (2004)

Even-tempered Slater-type orbitals revisited from hydrogen to krypton

von Chong, Delano P
Veröffentlicht in: Journal of computational chemistry (2004)

STO and GTO field-induced polarization functions for H to Kr

von Chong, Delano P
Veröffentlicht in: Journal of computational chemistry (2003)