Axel Diefenbach

The Nature of the Transition Metal−Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond-Energy Decomposition Analysis of TM(CO)₆^q (TM^q = Hf²^-, Ta^-, W, Re⁺, Os²⁺, Ir³⁺)

Axel Diefenbach, F. Matthias Bickelhaupt, Gernot Frenking · Journal of the American Chemical Society · 2000 · 252 citations

Natural Sciences, Chemistry, Physics +17

Activation of H−H, C−H, C−C and C−Cl Bonds by Pd and PdCl^-. Understanding Anion Assistance in C−X Bond Activation

Axel Diefenbach, G. Theodoor de Jong, F. Matthias Bickelhaupt · Journal of Chemical Theory and Computation · 2005 · 154 citations

Natural Sciences, Chemistry, Catalysis +16

Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations

Axel Diefenbach, F. Matthias Bickelhaupt · The Journal of Chemical Physics · 2001 · 135 citations · Full text

Natural Sciences, Chemistry, Physics +17

Activation of H−H, C−H, C−C, and C−Cl Bonds by Pd(0). Insight from the Activation Strain Model

Axel Diefenbach, F. Matthias Bickelhaupt · The Journal of Physical Chemistry A · 2004 · 130 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Nature of the Three-Electron Bond in H₂S∴SH₂⁺

F. Matthias Bickelhaupt, Axel Diefenbach, Sam P. de Visser et al. · The Journal of Physical Chemistry A · 1998 · 102 citations

Natural Sciences, Chemistry, Physics +17