Analysis of .vphi. and .chi.1 torsion angles for hen lysozyme in solution from proton NMR spin-spin coupling constants

Biochemistry ◽  
1991 ◽  
Vol 30 (4) ◽  
pp. 986-996 ◽  
Author(s):  
Lorna J. Smith ◽  
Michael J. Sutcliffe ◽  
Christina Redfield ◽  
Christopher M. Dobson
Keyword(s):  
Proton Nmr ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Torsion Angles ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Correlating the 31P NMR Chemical Shielding Tensor and the 2JP,C Spin–Spin Coupling Constants with Torsion Angles ζ and α in the Backbone of Nucleic Acids

2012 ◽  
Vol 116 (12) ◽  
pp. 3823-3833 ◽  
Author(s):  
Ladislav Benda ◽  
Zuzana Sochorová Vokáčová ◽  
Michal Straka ◽  
Vladimír Sychrovský
Keyword(s):  
Nucleic Acids ◽  
31P Nmr ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Chemical Shielding ◽  
Torsion Angles ◽  
Spin Coupling Constants ◽  
Shielding Tensor ◽  
Spin Spin Coupling

Molecular structure and the indirect spin-spin coupling constants in azulene—a proton NMR study in the nematic phase

1981 ◽  
Vol 17 (4) ◽  
pp. 257-259 ◽  
Author(s):  
S. Arumugam ◽  
A. C. Kunwar ◽  
C. L. Khetrapal
Keyword(s):  
Molecular Structure ◽  
Nematic Phase ◽  
Proton Nmr ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Nmr Study ◽  
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

Recent advances in computational 31 P NMR: Part 2. Spin-spin coupling constants

2019 ◽  
Vol 58 (6) ◽  
pp. 500-511
Author(s):  
Leonid B. Krivdin
Keyword(s):  
Coupling Constants ◽  
Spin Coupling ◽  
Recent Advances ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

scholarly journals Basis set dependence of 1H–X spin–spin coupling constants in non-empirical pure DFT framework, X = 1H, 13C, 19F, 35Cl: Case of CHCl=CH–CF3 stereoisomers

AIP Advances ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 035113
Author(s):  
Olivier Holtomo ◽  
Mama Nsangou ◽  
Ousmanou Motapon
Keyword(s):  
Coupling Constants ◽  
Spin Coupling ◽  
Basis Set ◽  
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
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