Article ID Journal Published Year Pages File Type
5383278 Chemical Physics Letters 2012 8 Pages PDF
Abstract
► Coupled cluster study of NMR shielding constants of alkali metal ions in water complexes is presented. ► The CC results are used for accuracy assessment of DFT functionals. ► Relativistically corrected NMR shielding constants confirm absolute shielding scales for alkali metals. ► New nuclear magnetic dipole moments of alkali metals decrease discrepancy between NMR and atomic beam measured moments.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Coupled cluster study of NMR shielding of alkali metal ions in water complexes and magnetic moments of alkali metal nuclei
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