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Journal of Molecular Catalysis A: Chemical, ISSN 1381-1169, 01/2017, Volume 426, Issue Part B, pp. 275 - 296
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 11/2017, Volume 23, Issue 63, pp. 16097 - 16103
A detailed analysis of the C(sp3)−H activation process by vinylidene AuI complexes is described based on an intrinsic bond orbital analysis. Based on our... 
reaction mechanisms | gold(I) | C−H activation | computational chemistry | bond orbital analysis | CATALYZED CYCLOISOMERIZATION | INSERTION | CONVERGENT BASIS-SETS | ALKYNES | CHEMISTRY, MULTIDISCIPLINARY | HYDRIDE TRANSFER | FUNCTIONALIZATION | PSEUDOPOTENTIALS | C-H activation | METHANE | CONSISTENT BASIS-SETS
Journal Article
Catalysis Letters, ISSN 1011-372X, 1/2015, Volume 145, Issue 1, pp. 23 - 39
Journal Article
Nature Chemistry, ISSN 1755-4330, 05/2010, Volume 2, Issue 5, pp. 400 - 405
Journal Article
Angewandte Chemie, ISSN 0044-8249, 10/2017, Volume 129, Issue 42, pp. 13221 - 13226
Studies with a series of metal/ceria(111) (metal=Co, Ni, Cu; ceria=CeO2) surfaces indicate that metal–oxide interactions can play a very important role for the... 
Ceroxid | XPS | Methandissoziation | Cobalt | Dichtefunktionalrechnungen | Methane | Cerium | X-ray spectroscopy | Investigations
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 05/2015, Volume 21, Issue 21, pp. 7780 - 7789
Mission: impossible? DFT calculations show that the trends in the thermochemistry are very different for the activation of CO2 and CH4 mediated by... 
methane | thermodynamics | carbon dioxide | computational chemistry | kinetics | Methane | Computational chemistry | Thermodynamics | Kinetics | Carbon dioxide | Magnesium | Magnesium oxide | Zinc
Journal Article
Nature Chemistry, ISSN 1755-4330, 05/2009, Volume 1, Issue 2, pp. 133 - 137
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 02/2018, Volume 57, Issue 9, pp. 2296 - 2306
C−H activation reactions with high catalyst turnover numbers are still very rare in the literature and 10 mol % is a common catalyst loading in this field. We... 
methane | catalysis | palladium | C−H activation | turnover | rhodium | DIRECT ARYLATION | PERIODIC MESOPOROUS ORGANOSILICA | ENANTIOSELECTIVE SYNTHESIS | CHEMISTRY, MULTIDISCIPLINARY | SIMPLE ARENES | C-H activation | COUPLING REACTIONS | N-TYPE REACTIONS | REGIOSELECTIVE HALOGENATION | BOND ACTIVATION | METAL-COMPLEXES | MOLECULAR-OXYGEN | Methane | Palladium catalysts | Catalysis | Activation | Palladium | Catalysts
Journal Article