We are grateful for the generous allocation of computer time by the Rechen- und Kommunikationszentrum of RWTH Aachen University. Assistance with the B2PLY-D computations by Dr. A. Uhe is gratefully acknowledged.
Heterolytic Outer-Sphere Cleavage of H2 for the Reduction of N2 in the Coordination Sphere of Transition Metals—A DFT Study†
Version of Record online: 10 JUL 2012
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Angewandte Chemie International Edition
Volume 51, Issue 33, pages 8225–8229, August 13, 2012
How to Cite
Hölscher, M. and Leitner, W. (2012), Heterolytic Outer-Sphere Cleavage of H2 for the Reduction of N2 in the Coordination Sphere of Transition Metals—A DFT Study . Angew. Chem. Int. Ed., 51: 8225–8229. doi: 10.1002/anie.201202025
- Issue online: 7 AUG 2012
- Version of Record online: 10 JUL 2012
- Manuscript Revised: 31 MAY 2012
- Manuscript Received: 14 MAR 2012
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