Relativistic Four-Component DFT Calculations of1H NMR Chemical Shifts in Transition-Metal Hydride Complexes: Unusual High-Field Shifts Beyond the Buckingham–Stephens Model

Title
Relativistic Four-Component DFT Calculations of1H NMR Chemical Shifts in Transition-Metal Hydride Complexes: Unusual High-Field Shifts Beyond the Buckingham–Stephens Model
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 115, Issue 22, Pages 5654-5659
Publisher
American Chemical Society (ACS)
Online
2011-05-18
DOI
10.1021/jp202327z

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