NMR Spin–Spin Coupling Constants Derived from Relativistic Four-Component DFT Theory—Analysis and Visualization

2020 ◽  
Vol 124 (25) ◽  
pp. 5157-5169 ◽  
Author(s):  
Stanislav Komorovsky ◽  
Katarzyna Jakubowska ◽  
Paweł Świder ◽  
Michal Repisky ◽  
Michał Jaszuński
Keyword(s):  
Coupling Constants ◽  
Spin Coupling ◽  
Dft Theory ◽  
Theory Analysis ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Vibrational and thermal averaging of the indirect nuclear spin-spin coupling constants of CH4, SiH4, GeH4 and SnH4

1997 ◽  
Vol 91 (5) ◽  
pp. 897-907 ◽  
Author(s):  
SHEELA KIRPEKAR ◽  
THOMAS ENEVOLDSEN ◽  
JENS ODDERSHEDE ◽  
WILLIAM RAYNES
Keyword(s):  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Structural Characterization of Natural Products By Means of Quantum Chemical Calculations of NMR Parameters: New insights

2021 ◽  
Author(s):  
Fabio Luiz Paranhos Costa ◽  
Ana Carolina Ferreira de Albuquerque ◽  
Rodolfo Goetze Fiorot ◽  
Luciano Morais Lião ◽  
Lucas Haidar Martorano ◽  
...  
Keyword(s):  
Natural Products ◽  
Structural Characterization ◽  
Quantum Chemical ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Nmr Parameters ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

The calculation of NMR parameters for natural products was pioneered by Bifulco and coworkers in 2002. Since then, modelling 1H and 13C chemical shifts and spin-spin coupling constants for this...

Revealing the specific solute–solvent interactions via the measurements of the NMR spin–spin coupling constants

2015 ◽  
Vol 1083 ◽  
pp. 175-178 ◽  
Author(s):  
Astghik A. Shahkhatuni ◽  
Aleksan G. Shahkhatuni ◽  
Nune S. Minasyan ◽  
Henry A. Panosyan ◽  
Aleksandr B. Sahakyan
Keyword(s):  
Coupling Constants ◽  
Spin Coupling ◽  
Solvent Interactions ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling
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