DFT Study on Chemical N2Fixation by Using a Cubane-Type RuIr3S4Cluster: Energy Profile for Binding and Reduction of N2to Ammonia via Ru−N−NHx(x= 1−3) Intermediates with Unique Structures

Published 2008 View Full Article

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Title
DFT Study on Chemical N2Fixation by Using a Cubane-Type RuIr3S4Cluster: Energy Profile for Binding and Reduction of N2to Ammonia via Ru−N−NHx(x= 1−3) Intermediates with Unique Structures
Authors
Keywords
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Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 130, Issue 28, Pages 9037-9047
Publisher
American Chemical Society (ACS)
Online
2008-06-18
DOI
10.1021/ja8009567

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