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- W4386624265 abstract "Abstract Recently, the application of computational tools to the rational design of catalysts has received considerable attention, but progress has been limited by the reliance on databases and because mechanistic data have been almost neglected. Herein, we report a new strategy for catalyst design, designated c atalyst‐ o riented d esign based on e lementary r eactions (CODER), which fully utilizes mechanistic data, combines the strengths of computational tools and researcher experience. CODER enabled the development of extremely efficient Pd catalysts for C−N coupling, which markedly improved the efficiency of the synthesis of widely used triarylamine optoelectronic materials by enhancing the turnover numbers (up to 340000) to 1–3 orders of magnitude towards literature values." @default.
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- W4386624265 date "2023-09-25" @default.
- W4386624265 modified "2023-09-27" @default.
- W4386624265 title "Catalyst‐Oriented Design Based on Elementary Reactions (CODER) for Triarylamine Synthesis" @default.
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- W4386624265 doi "https://doi.org/10.1002/anie.202309111" @default.
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