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Science 5 September 1975:
Vol. 189. no. 4205, pp. 805 - 806
DOI: 10.1126/science.189.4205.805
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Articles

Simplex Optimization of Reaction Yields

Walter K. Dean 1, Katharine J. Heald 1, and Stanley N. Deming 2

1 Department of Chemistry, Emory University, Atlanta, Georgia 30322
2 Department of Chemistry, University of Houston, Houston, Texas 77004

The sequential simplex algorithm, an efficient optimization strategy, rapidly improved reaction yield as a function of time and temperature in the synthesis of pgr-C5H5Mo(CO)2CSN(CH3)2. The work demonstrates the feasibility and efficiency of the simplex design and suggests its application and usefulness in other syntheses.

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Science. ISSN 0036-8075 (print), 1095-9203 (online)