scholarly journals Prediction of spin–spin coupling constants with machine learning in NMR

2021 ◽  
Author(s):  
Kaina Shibata ◽  
Hiromasa Kaneko
Keyword(s):  
Machine Learning ◽  
Coupling Constants ◽  
Spin Coupling ◽  
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...

High‐Level Electron Correlation of the Indirect Nuclear Spin‐Spin Coupling Constants in Some Small Diboranes and Lithium‐Doped Diboranes

2021 ◽  
Vol 6 (22) ◽  
pp. 5451-5465
Author(s):  
Antonio P. Santos Neto ◽  
Roberto Rivelino ◽  
Gabriel I. Pagola ◽  
Patricio F. Provasi
Keyword(s):  
Electron Correlation ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
High Level ◽  
Spin Spin Coupling

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

Geminal tin-tin indirect nuclear spin-spin coupling constants in some trimethyl tin group IV and group V compounds

1981 ◽  
Vol 44 (1) ◽  
pp. 54-61 ◽  
Author(s):  
W Biffar ◽  
T Gasparis-ebeling ◽  
H Nöth ◽  
W Storch ◽  
B Wrackmeyer
Keyword(s):  
Nuclear Spin ◽  
Group Iv ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Group V ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling
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