Complete 13C NMR Chemical Shifts Assignment for Cholesterol Crystals by Combined CP-MAS Spectral Editing and ab Initio GIPAW Calculations with Dispersion Forces

2012 ◽  
Vol 116 (14) ◽  
pp. 3765-3769 ◽  
Author(s):  
Emine Küçükbenli ◽  
Kanchan Sonkar ◽  
Neeraj Sinha ◽  
Stefano de Gironcoli
Keyword(s):  
Ab Initio ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Dispersion Forces ◽  
Spectral Editing ◽  
Cholesterol Crystals ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts

Conformational Effects on 13C-NMR Chemical Shifts of an Amorphous Polymer: An ab Initio Study by the IGLO Method

1994 ◽  
Vol 27 (6) ◽  
pp. 1500-1504 ◽  
Author(s):  
R. Born ◽  
H. W. Spiess ◽  
W. Kutzelnigg ◽  
U. Fleischer ◽  
M. Schindler
Keyword(s):  
Ab Initio ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Amorphous Polymer ◽  
Ab Initio Study ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
Conformational Effects
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