Benchmarking density-functional theory calculations of NMR shielding constants and spin–rotation constants using accurate coupled-cluster calculations
Crossref DOI link: https://doi.org/10.1063/1.4773016
Published Online: 2013-01-11
Published Print: 2013-01-14
Update policy: https://doi.org/10.1063/aip-crossmark-policy-page
Teale, Andrew M.
Lutnæs, Ola B.
Helgaker, Trygve
Tozer, David J.
Gauss, Jürgen
Funding for this research was provided by:
European Union (FP7/2007-2013)