New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited

The level of detail attained in the computational description of reaction mechanisms can be vastly improved through tools for automated chemical space exploration, particularly for systems of small to medium size. Under this approach, the unimolecular decomposition landscape for indole was explored...

Full description

Bibliographic Details

Published in:	ACS Physical Chemistry Au Vol. 2; no. 3; pp. 225 - 236
Main Authors:	Garay-Ruiz, Diego, Álvarez-Moreno, Moises, Bo, Carles, Martínez-Núñez, Emilio
Format:	Journal Article
Language:	English
Published:	United States American Chemical Society 25-05-2022
Subjects:	visualization indole pyrolysis data analysis automated mechanism discovery reaction networks astrochemistry
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!