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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:googlescopusMechanistic 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:googlescopusThe 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