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
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
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
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
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
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