Axel Diefenbach

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1997-2000 Chemistry Philipps-Universität Marburg, Marburg, Hessen, Germany 
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"Axel Diefenbach"
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Diefenbach A, de Jong GT, Bickelhaupt FM. (2005) Activation of H-H, C-H, C-C and C-Cl Bonds by Pd and PdCl(-). Understanding Anion Assistance in C-X Bond Activation. Journal of Chemical Theory and Computation. 1: 286-98
De Jong GT, Geerke DP, Diefenbach A, et al. (2005) Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study. Journal of Computational Chemistry. 26: 1006-20
Diefenbach A, De Jong GT, Bickelhaupt FM. (2005) Activation of H-H, C-H, C-C and C-Cl bonds by Pd and PdCl-. Understanding anion assistance in C-X bond activation Journal of Chemical Theory and Computation. 1: 286-298
Diefenbach A, Bickelhaupt FM. (2005) Activation of C–H, C–C and C–I bonds by Pd and cis-Pd(CO)2I2. Catalyst–substrate adaptation Journal of Organometallic Chemistry. 690: 2191-2199
De Jong GT, Geerke DP, Diefenbach A, et al. (2005) DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals Chemical Physics. 313: 261-270
De Jong GT, Geerke DP, Diefenbach A, et al. (2005) Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study Journal of Computational Chemistry. 26: 1006-1020
Loschen C, Voigt K, Frunzke J, et al. (2002) Theoretical Studies of Inorganic Compounds. 19 1) Quantum Chemical Investigations of the Phosphane Complexes X3B‐PY3 and X3Al‐PY3 (X = H, F, Cl; Y = F, Cl, Me, CN) Zeitschrift FüR Anorganische Und Allgemeine Chemie. 628: 1294-1304
Diefenbach A, Bickelhaupt FM. (2001) Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations The Journal of Chemical Physics. 115: 4030-4040
Neumueller B, Schmock F, Kirmse R, et al. (2001) ChemInform Abstract: (Ph4P)S6 - A Compound Containing the Cyclic Radical Anion S6×-. Cheminform. 32: no-no
Neumüller B, Schmock F, Kirmse R, et al. (2000) (Ph(4)P)S(6)-A Compound Containing the Cyclic Radical Anion S(6)(.-) We thank the Deutsche Forschungsgemeinschaft (DFG) and the Fonds der Chemischen Industrie (FCI) for financial support. A.D. thanks the FCI for a doctoral stipendium. F.M.B. thanks the DFG for a Habilitation fellowship. Angewandte Chemie (International Ed. in English). 39: 4580-4582
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