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Theoretical nitrogen NMR chemical shifts in Octahedral boron nitride cages
- Source :
- Journal of Physical Chemistry A. Sept 21, 2006, Vol. 110 Issue 37, 10844-10847
- Publication Year :
- 2006
-
Abstract
- The geometrical structure, relative stability, and nitrogen chemical shifts of five boron nitride hollow octahedral cages are calculated using density functional theory. Results reveal how three typical ranges for nitrogen chemical shifts corresponding to each of the nonequivalent magnetic sites of the N atoms
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 110
- Issue :
- 37
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.153171958