The reactivity game: theoretical predictions for heavy atom tunneling in adamantyl and related carbenes
Author:
Affiliation:
1. Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM)
2. University of North Texas
3. Denton, USA
Abstract
What is the tunneling probability of carbon atoms? Can theory predict the “tunneling limit”?
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00115J
Reference38 articles.
1. R. P. Bell , The tunnel effect in chemistry , Chapman and Hall , London; New York , 1980
2. Path Length Determines the Tunneling Decay of Substituted Carbenes
3. Experimental evidence for nonsquare cyclobutadiene as a chemically significant intermediate in solution
4. Limits on the activation parameters for automerization of cyclobutadiene-1,2-d2
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