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- W2599050225 abstract "Efficient and selective catalysis lies at the heart of much of chemistry, enabling the synthesis of molecules and materials with enormous societal and technological impact. Modern in silico tools should allow us to develop new catalysts faster and better than ever before; this contribution discusses the feasibility and potential of computational catalyst design." @default.
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- W2599050225 date "2017-03-21" @default.
- W2599050225 modified "2023-09-23" @default.
- W2599050225 title "A Holy Grail in Chemistry: Computational Catalyst Design: Feasible or Fiction?" @default.
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- W2599050225 doi "https://doi.org/10.1021/acs.accounts.6b00606" @default.
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