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Title
Atom Tunneling in Chemistry
Authors
Keywords
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Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 55, Issue 18, Pages 5400-5413
Publisher
Wiley
Online
2016-03-19
DOI
10.1002/anie.201511028
References
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- (2015) Stefan Henkel et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
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- (2008) Naoki Watanabe et al. PROGRESS IN SURFACE SCIENCE
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