ChemInform Abstract: Modern Quantum Chemical Methods for Calculating Spin-Spin Coupling Constants: Theoretical Basis and Structural Applications in Chemistry

ChemInform ◽  
2013 ◽  
Vol 44 (48) ◽  
pp. no-no
Author(s):  
Yu. Yu. Rusakov ◽  
L. B. Krivdin
Keyword(s):  
Quantum Chemical ◽  
Theoretical Basis ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Chemical Methods ◽  
Quantum Chemical Methods ◽  
Structural Applications ◽  
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...

Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants

1990 ◽  
Vol 210 ◽  
pp. 175-186 ◽  
Author(s):  
R.H. Contreras ◽  
C.G. Giribet ◽  
M.C.Ruiz De Azúa ◽  
C.N. Cavasotto ◽  
G.A. Aucar ◽  
...  
Keyword(s):  
Chemical Analysis ◽  
Quantum Chemical ◽  
Lone Pair ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Quantum Chemical Analysis ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling
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