NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) investigated by density functional theory based on the Douglas–Kroll–Hess Hamiltonian
Article first published online: 19 JAN 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 12, pages 1013–1023, 5 May 2013
How to Cite
Yoshizawa, T. and Sakaki, S. (2013), NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) investigated by density functional theory based on the Douglas–Kroll–Hess Hamiltonian. J. Comput. Chem., 34: 1013–1023. doi: 10.1002/jcc.23224
- Issue published online: 2 APR 2013
- Article first published online: 19 JAN 2013
- Manuscript Accepted: 13 DEC 2012
- Manuscript Revised: 11 DEC 2012
- Manuscript Received: 1 OCT 2012
- Grant-in-Aids from the Ministry of Education, Culture, Science, Sport, and Technology through Grant-in-Aids of Specially Promoted Science and Technology. Grant Number: 22000009
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