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Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling
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AutoMeKin2021: An open-source program for automated reaction discovery

Emilio Martínez-Núñez1, George L Barnes2, David R Glowacki3

  • 1Department of Physical Chemistry, University of Santiago de Compostela, Santiago de Compostela, Spain.

Journal of Computational Chemistry
|August 13, 2021
PubMed

Keywords:
MD simulationsgraph theorykineticsreaction mechanisms

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