G. Theodoor de Jong
Affiliations: | 2002-2007 | Chemistry | Vrije Universiteit Amsterdam, Amsterdam, Netherlands |
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Publications
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de Jong GT, Bickelhaupt FM. (2007) Catalytic Carbon-Halogen Bond Activation: Trends in Reactivity, Selectivity, and Solvation. Journal of Chemical Theory and Computation. 3: 514-29 |
de Jong GT, Bickelhaupt FM. (2007) Transition-state energy and position along the reaction coordinate in an extended activation strain model. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1170-81 |
de Jong GT, Bickelhaupt FM. (2006) Oxidative Addition of the Chloromethane C-Cl Bond to Pd, an ab Initio Benchmark and DFT Validation Study. Journal of Chemical Theory and Computation. 2: 322-35 |
de Jong GT, Kovacs A, Bickelhaupt FM. (2006) Oxidative addition of hydrogen halides and dihalogens to Pd. Trends in reactivity and relativistic effects. The Journal of Physical Chemistry. A. 110: 7943-51 |
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, Bickelhaupt FM. (2005) Oxidative addition of the fluoromethane C-F bond to Pd. An ab initio benchmark and DFT validation study. The Journal of Physical Chemistry. A. 109: 9685-99 |
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 |
de Jong GT, Solà M, Visscher L, et al. (2004) Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization. The Journal of Chemical Physics. 121: 9982-92 |