Activity-Based Screening of Homogeneous Catalysts through the Rapid Assessment of Theoretically Derived Turnover Frequencies
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The polymn. of isoprene induced by alkyl lithium compds. in hydrocarbon solvents is known to proceed with a high stereoselectivity to (Z)-1,4-polyisoprene. We have studied the initiation step of this reaction with the help of ab initio mol. dynamics simula ...
The aim of this study is to identify the reaction mechanism of methanol dehydrogenation on sodium carbonate catalyst. Quantitative analyses of the products of methanol dehydrogenation on sodium carbonate catalyst at 963 K indicate that methane is formed in ...
Transient measurement techniques were applied to the kinetic investigation of the reaction mechanism of CO2 methanation, using diffuse-reflectance IR spectroscopy and mass spectrometry. The coupled information of the surface intermediates and the time evol ...
We present a photoemission study on reactivity of the Au-Si system. We studied gold films evaporated atop ultrathin silicon layers previously deposited on GaAs. Following analysis of both the Si 2p core level and the Au 5d valence band spectra related resp ...
Nonsteady-state kinetics was used for the detn. of the reaction mechanism of a heterogeneous catalytic reaction, and the characteristic shape of the time evolution curves of the concns. at the outlet of the reactor was assocd. with rate-limiting steps. Add ...
