Computer-generated isotope model achieves experimental accuracy of filiation for position-specific isotope analysis

Position-specific isotope analysis (PSIA) can aid in understanding the origins of molecules. Destructive PSIA requires a model to track isotope substitution through reaction pathways. We present a general method based on the Reaction Mechanism Generator software to construct quantitative kinetic mod...

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Bibliographic Details
Main Authors: Goldman, Mark Jacob, Vandewiele, Nick, Ono, Shuhei, Green Jr, William H
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:English
Published: Elsevier BV 2019
Online Access:https://hdl.handle.net/1721.1/123303