Computational Transition-State Design Provides Experimentally Verified Cr(P,N) Catalysts for Control of Ethylene Trimerization and Tetramerization
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DOI: 10.1021/acscatal.7b04026
Abstract: Computational design of molecular homogeneous organometallic catalysts followed by experimental realization remains a significant challenge. Here, we report the development and use of a density functional theory transition-state model that provided quantitative prediction of molecular… read more here.
Keywords: trimerization tetramerization; design; ethylene trimerization; transition state ... See more keywords