Jan‐Willem Handgraaf

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

Célia Fonseca Guerra, Jan‐Willem Handgraaf, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2003 · 1.2K citations

Natural Sciences, Chemistry, Physics +16

Chiral Induction Effects in Ruthenium(II) Amino Alcohol Catalysed Asymmetric Transfer Hydrogenation of Ketones: An Experimental and Theoretical Approach

Daniëlle G. I. Petra, Joost N. H. Reek, Jan‐Willem Handgraaf et al. · Chemistry - A European Journal · 2000 · 159 citations

Natural Sciences, Chemistry, Catalysis +12

Realistic Modeling of Ruthenium-Catalyzed Transfer Hydrogenation

Jan‐Willem Handgraaf, Evert Jan Meijer · Journal of the American Chemical Society · 2007 · 155 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Iridium(I) versus Ruthenium(II). A Computational Study of the Transition Metal Catalyzed Transfer Hydrogenation of Ketones

Jan‐Willem Handgraaf, Joost N. H. Reek, Evert Jan Meijer · Organometallics · 2003 · 95 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Density-functional theory-based molecular simulation study of liquid methanol

Jan‐Willem Handgraaf, Evert Jan Meijer, Marie‐Pierre Gaigeot · The Journal of Chemical Physics · 2004 · 88 citations

Natural Sciences, Chemistry, Physics +16