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Computer-aided screening of solvents for optimal reaction rates

✍ Scribed by Wicaksono, Danan S.; Mhamdi, Adel; Marquardt, Wolfgang

Book ID
123083371
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
563 KB
Volume
115
Category
Article
ISSN
0009-2509

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## Abstract A hybrid experimental/computer‐aided methodology for the design of solvents for reactions is presented. It is based on the use of a few reaction rate measurements to build a reaction model, followed by the formulation and solution of an optimal computer‐aided molecular design problem (C