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Results: 1-12 |
Results: 12

Authors: Gisdakis, P Rosch, N Bencze, E Mink, J Goncalves, IS Kuhn, FE
Citation: P. Gisdakis et al., Monomer-dimer equilibria of oxo/imido complexes of heptavalent rhenium: Theoretical and spectroscopic investigations, EUR J INORG, (4), 2001, pp. 981-991

Authors: Gisdakis, P Rosch, N
Citation: P. Gisdakis et N. Rosch, Solvent effects on the activation barriers of olefin epoxidation - A density functional study, EUR J ORG C, (4), 2001, pp. 719-723

Authors: Gisdakis, P Rosch, N
Citation: P. Gisdakis et N. Rosch, Olefin epoxidation by dioxiranes and percarboxylic acids: an analysis of activation energies calculated by a density functional method, J PHYS ORG, 14(6), 2001, pp. 328-332

Authors: Ivanova, EA Gisdakis, P Nasluzov, VA Rubailo, AI Rosch, N
Citation: Ea. Ivanova et al., Methanol carbonylation catalyzed by the anion of the complex dicarbonyldiiodorhodium(I). A density functional study of the catalytic cycle, ORGANOMETAL, 20(6), 2001, pp. 1161-1174

Authors: Gisdakis, P Yudanov, IV Rosch, N
Citation: P. Gisdakis et al., Olefin epoxidation by molybdenum and rhenium peroxo and hydroperoxo compounds: A density functional study of energetics and mechanisms, INORG CHEM, 40(15), 2001, pp. 3755-3765

Authors: Gisdakis, P Rosch, N
Citation: P. Gisdakis et N. Rosch, [2+3] cycloaddition of ethylene to transition metal oxo compounds. Analysis of density functional results by marcus theory, J AM CHEM S, 123(4), 2001, pp. 697-701

Authors: Di Valentin, C Gandolfi, R Gisdakis, P Rosch, N
Citation: C. Di Valentin et al., Allylic alcohol epoxidation by methyltrioxorhenium: A density functional study on the mechanism and the role of hydrogen bonding, J AM CHEM S, 123(10), 2001, pp. 2365-2376

Authors: Yudanov, IV Di Valentin, C Gisdakis, P Rosch, N
Citation: Iv. Yudanov et al., Olefin epoxidation by mono and bisperoxo complexes of Mo(VI): a density functional model study, J MOL CAT A, 158(1), 2000, pp. 189-197

Authors: Di Valentin, C Gisdakis, P Yudanov, IV Rosch, N
Citation: C. Di Valentin et al., Olefin epoxidation by peroxo complexes of Cr, Mo, and W. A comparative density functional study, J ORG CHEM, 65(10), 2000, pp. 2996-3004

Authors: Yudanov, IV Gisdakis, P Di Valentin, C Rosch, N
Citation: Iv. Yudanov et al., Activity of peroxo and hydroperoxo complexes of Ti-IV in olefin epoxidation: A density functional model study of energetics and mechanism, EUR J INORG, (12), 1999, pp. 2135-2145

Authors: Kuhn, FE Santos, AM Roesky, PW Herdtweck, E Scherer, W Gisdakis, P Yudanov, IV Di Valentin, C Rosch, N
Citation: Fe. Kuhn et al., Trigonal-bipyramidal Lewis base adducts of methyltrioxorhenium(VII) and their bisperoxo congeners: Characterization, application in catalytic epoxidation, and density functional mechanistic study, CHEM-EUR J, 5(12), 1999, pp. 3603-3615

Authors: Gisdakis, P Antonczak, S Rosch, N
Citation: P. Gisdakis et al., Thermochemistry of oxygen transfer between rhenium and phosphine complexes. A density functional study, ORGANOMETAL, 18(24), 1999, pp. 5044-5056
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