Interrogating selectivity in catalysis using molecular vibrations

Anat Milo, Elizabeth N. Bess and Matthew S. Sigman ()
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Anat Milo: University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112, USA
Elizabeth N. Bess: University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112, USA
Matthew S. Sigman: University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112, USA

Nature, 2014, vol. 507, issue 7491, 210-214

Abstract: A set of parameters based on the response of a molecule’s properties to infrared vibrations can be used to model and predict selectivity trends for molecular reactions with interlinked steric and electronic effects at positions of interest

Date: 2014
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DOI: 10.1038/nature13019

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