Hartree–Fock and density functional complete basis-set (CBS) predicted nuclear shielding anisotropy and shielding tensor components
Author:
Publisher
Elsevier BV
Subject
Instrumentation,Nuclear and High Energy Physics,General Chemistry,Radiation
Reference59 articles.
1. Gas-phase NMR spectroscopy;Jameson;Chem. Rev.,1991
2. Carbon-13 NMR Spectroscopy, High-Resolution Methods and Applications in Organic Chemistry and Biochemistry;Breitmaier,1987
3. A 13C Solid-state NMR investigation of the alkynyl carbon chemical shift tensors for 2-butyne-1,4-diol;Bernard;Solid State Nucl. Magn. Reson.,2002
4. A special method for analyzing anisotropic nuclear magnetic resonance parameters;Lounila;J. Chem. Phys.,1990
5. Experimental and theoretical ab initio study of the 13C–13C spin coupling and 1H and 13C shielding tensors in ethane, ethene, and ethyne;Kaski;J. Amer. Chem. Soc.,1998
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