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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:googlescopusSynthesis and characterization of the novel Al<sup>I</sup> compound Al(C<inf>5</inf>Me<inf>4</inf>Ph): Comparison of the coordination chemistry of Al(C<inf>5</inf>Me<inf>5</inf>) and Al(C<inf>5</inf>Me<inf>4</inf>Ph) at d <sup>10</sup> metal centers
ArticleAbstract: The synthesis of the novel AlI compound AlCp*Ph (Cp*Ph = C5Me4Ph) is presented. This compound is chaPalabras claves:aluminum, Carbenoid ligands, Coordination chemistry, nickel, PalladiumAutores:Buchin B., Fischer R.A., Gemel C., Steinke T., Thomas CadenbachFuentes:scopus