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A multiscale simulation approach for the MOCVD of GaN using a single-molecule precursor in a vertical stagnation flow reactor
ArticleAbstract: A multiscale simulation approach, including atomistic quantum mechanical calculations on the moleculPalabras claves:Computational Fluid Dynamics, density functional theory, Gallium azide, Multiscale simulation, Single-molecule precursorsAutores:Brenner G., Fischer R.A., Khanderi J., Mukinovic M., Schmid R., Spöllmann S., Tafipolsky M., Thomas CadenbachFuentes:googlescopusErratum: The [Ga<inf>2</inf>(C<inf>5</inf>Me<inf>5</inf>)]<sup>+</sup> Ion: Bipyramidal double-cone structure and weakly coordinated, monovalent Ga <sup>+</sup> (Agewandte Chemie-International Edition (2006) 45 (1074-1076))
OtherAbstract:Palabras claves:Autores:Buchin B., Fischer R.A., Gemel C., Schmid R., Thomas CadenbachFuentes:scopusMechanistic insights into an unprecedented C-C bond activation on a Rh/Ga bimetallic complex: A combined experimental/computational approach
ArticleAbstract: The unusual rearrangement of [RhCp*(GaCp*)(CH3) 2] (1c) to [RhCp*(C5Me4Ga(CH 3)3)] (2) is presentedPalabras claves:Autores:Fischer R.A., Gemel C., Schmid R., Thomas CadenbachFuentes:googlescopusSubstituent-free gallium by hydrogenolysis of coordinated gaCp*: Synthesis and structure of highly fluxional [Ru<inf>2</inf>(Ga)(GaCp*) <inf>7</inf>(H)<inf>3</inf>]
ArticleAbstract: All change: Complete ligand exchange through the hydrogenation of [Ru(η4-cod)(η6-cot)] in the presenPalabras claves:cluster compounds, Coordination chemistry, Gallium, Hydrogenolysis, rutheniumAutores:Cokoja M., Fischer R.A., Gemel C., Halbherr M., Schmid R., Thomas Cadenbach, Yusenko K.Fuentes:scopusThe [Ga<inf>2</inf>(C<inf>5</inf>Me<inf>5</inf>)]<sup>+</sup> ion: Bipyramidal double-cone structure and weakly coordinated, monovalent Ga <sup>+</sup>
ArticleAbstract: (Figure Presented) Partial protolysis of GaCp* with [H-(OEt 2)2]+[BArF]- afforded the GaI compound [Palabras claves:Carbenoids, Cyclopentadienyl compounds, Gallium, Group 13 elementsAutores:Buchin B., Fischer R.A., Gemel C., Schmid R., Thomas CadenbachFuentes:scopusThe reaction of RhCp*(CH<inf>3</inf>)<inf>2</inf>(L) (L = pyridine, dmso) with GaCp* and AlCp*: A new type of carbon-carbon bond activation reaction
ArticleAbstract: Reaction of RhCp*(L)(CH3)2 (L = pyridine, dmso) with equimolar amounts of GaCp* at 60°C quantitativePalabras claves:Autores:Block S., Fischer R.A., Gemel C., Schmid R., Thomas CadenbachFuentes:googlescopus