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Showing 1 to 1 of 1 for “"Aldehyde-water shift"”.
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Computational Studies on Bimetallic Catalysis and X-ray Absorption Spectroscopy
… for industrially important hydroformylation and aldehyde-water shift catalysis (AWS) is discussed. Density functional theory (DFT) studies were used for bimetallic catalysis and time-dependent DFT studies were used for excited state dynamics. These studies were performed using Gaussian 09 package …