Modeling of Heavy-Atom–Ligand NMR Spin–Spin Coupling in Solution: Molecular Dynamics Study and Natural Bond Orbital Analysis of HgC Coupling Constants
Article first published online: 12 NOV 2010
Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Chemistry - A European Journal
Volume 17, Issue 1, pages 161–173, January 3, 2011
How to Cite
Zheng, S. and Autschbach, J. (2011), Modeling of Heavy-Atom–Ligand NMR Spin–Spin Coupling in Solution: Molecular Dynamics Study and Natural Bond Orbital Analysis of HgC Coupling Constants. Chem. Eur. J., 17: 161–173. doi: 10.1002/chem.201001343
- Issue published online: 5 JAN 2011
- Article first published online: 12 NOV 2010
- Manuscript Received: 18 MAY 2010
- National Science Foundation. Grant Numbers: CHE 447321, 952253
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