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Showing 1 to 1 of 1 for “"Chemoinformatics, Catalysis"”.
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Diversity oriented, computer guided catalyst design: Application of chemoinformatics to catalysis
… workflow towards problems in enantioselective catalysis. The second half of this thesis (Chapter 4) focuses on the use of chemoinformatics to develop design criteria for active phase-transfer catalysts. The most common parameter used to predict PTC rates, the ammonium ion accessibility, q, is …