Authors: Ensing, B Buda, F Blochl, P Baerends, EJ

Citation: B. Ensing et al., Chemical involvement of solvent water molecules in elementary steps of thefenton oxidation reaction, ANGEW CHEM, 40(15), 2001, pp. 2893-2895

Authors: Ensing, B Meijer, EJ Blochl, PE Baerends, EJ

Citation: B. Ensing et al., Solvation effects on the S(N)2 reaction between CH3Cl and Cl- in water, J PHYS CH A, 105(13), 2001, pp. 3300-3310

Authors: Buda, F Ensing, B Gribnau, MCM Baerends, EJ

Citation: F. Buda et al., DFT study of the active intermediate in the Fenton reaction, CHEM-EUR J, 7(13), 2001, pp. 2775-2783

Authors: Gritsenko, OV Ensing, B Schipper, PRT Baerends, EJ

Citation: Ov. Gritsenko et al., Comparison of the accurate Kohn-Sham solution with the generalized gradient approximations (GGAs) for the S(N)2 reaction F-+CH3F -> FCH3+F-: A qualitative rule to predict success or failure of GGAs, J PHYS CH A, 104(37), 2000, pp. 8558-8565