Spectroscopic characterization of isomerization transition states

Transition state theory is central to our understanding of chemical reaction dynamics. We demonstrate a method for extracting transition state energies and properties from a characteristic pattern found in frequency-domain spectra of isomerizing systems. This pattern—a dip in the spacings of certain...

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Bibliographic Details
Main Authors: Mellau, Georg Ch., Stanton, John F., Merer, Anthony J., Baraban, Joshua Herschel, Changala, P. Bryan, Field, Robert W
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:en_US
Published: American Association for the Advancement of Science (AAAS) 2017
Online Access:http://hdl.handle.net/1721.1/107170
https://orcid.org/0000-0002-7609-4205