Electronic structure of copper oxides, valence state of copper and oxygen, and spin-spin coupling in YBa2Cu3O7-? and YBa2Cu3O6

1991 ◽  
Vol 32 (1) ◽  
pp. 1-7 ◽  
Author(s):  
V. I. Baranovskii ◽  
O. V. Sizova
Keyword(s):  
Electronic Structure ◽  
Valence State ◽  
Copper Oxides ◽  
Spin Coupling ◽  
Spin Spin Coupling

Spin-Spin Coupling between Fluorine and Aromatic Protons of 3-Fluoroquinoline: Dependence on the Electronic Structure of the Ring Nitrogen

Heterocycles ◽  
1992 ◽  
Vol 33 (1) ◽  
pp. 35
Author(s):  
Yutaka Kawazoe ◽  
Ken-ichi Saeki ◽  
Kohfuku Kohda ◽  
Yohko Sakamoto
Keyword(s):  
Electronic Structure ◽  
Spin Coupling ◽  
Ring Nitrogen ◽  
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...

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