Discovery of conical intersection mediated photochemistry with growing string methods
Author:
Affiliation:
1. Department of Chemistry
2. University of Michigan
3. Ann Arbor
4. USA
Abstract
A new reaction discovery technique for photochemical reactions is herein used to explore complex intersections and predict product selectivity.
Funder
Division of Chemistry
National Institutes of Health
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP04703K
Reference86 articles.
1. Theoretical models for the selectivity of organic singlet and triplet photoreactions
2. Conical intersections as a mechanistic feature of organic photochemistry
3. Isomerization Through Conical Intersections
4. Understanding the Dynamics Behind the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor
5. Using the computer to understand the chemistry of conical intersections
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