Thermochemistry of Organic Reactions in Microporous Oxides by Atomistic Simulations: Benchmarking against Periodic B3LYP

Published 2010 View Full Article

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Title
Thermochemistry of Organic Reactions in Microporous Oxides by Atomistic Simulations: Benchmarking against Periodic B3LYP
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 27, Pages 7391-7397
Publisher
American Chemical Society (ACS)
Online
2010-06-17
DOI
10.1021/jp1021664

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