Chemical Shift Tensors of Protonated Base Carbons in Helical RNA and DNA from NMR Relaxation and Liquid Crystal Measurements

2006 ◽  
Vol 128 (35) ◽  
pp. 11443-11454 ◽  
Author(s):  
Jinfa Ying ◽  
Alexander Grishaev ◽  
David L. Bryce ◽  
Ad Bax
Keyword(s):  
Liquid Crystal ◽  
Chemical Shift ◽  
Nmr Relaxation ◽  
Chemical Shift Tensors ◽  
Rna And Dna

Temperature Dependence of Molecular Conformation, Dynamics, and Chemical Shift Anisotropy of α,α-Trehalose in D2O by NMR Relaxation

1997 ◽  
Vol 119 (6) ◽  
pp. 1336-1345 ◽  
Author(s):  
Gyula Batta ◽  
Katalin E. Kövér ◽  
Jacquelyn Gervay ◽  
Miklós Hornyák ◽  
Gareth M. Roberts
Keyword(s):  
Chemical Shift ◽  
Temperature Dependence ◽  
Molecular Conformation ◽  
Chemical Shift Anisotropy ◽  
Nmr Relaxation

scholarly journals Modeling Small Structural and Environmental Differences in Solids with 15 N NMR Chemical Shift Tensors

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Luther Wang ◽  
Alexander B. Elliott ◽  
Sean D. Moore ◽  
Gregory J. O. Beran ◽  
Joshua D. Hartman ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Nmr Chemical Shift ◽  
Chemical Shift Tensors

scholarly journals Chemical-shift tensors of heavy nuclei in network solids: a DFT/ZORA investigation of 207Pb chemical-shift tensors using the bond-valence method

2015 ◽  
Vol 17 (38) ◽  
pp. 25014-25026 ◽  
Author(s):  
Fahri Alkan ◽  
C. Dybowski
Keyword(s):  
Chemical Shift ◽  
Quantum Chemistry ◽  
Principal Components ◽  
Bond Valence ◽  
Cluster Models ◽  
Magnetic Shielding ◽  
Heavy Nuclei ◽  
Chemical Shift Tensors ◽  
Accurate Computation ◽  
Bond Valence Model

Accurate computation of 207Pb magnetic shielding principal components is within the reach of quantum chemistry methods by employing relativistic ZORA/DFT and cluster models adapted from the bond valence model.

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