vicinal proton
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Structural revision of glabramycins B and C, antibiotics from the fungus Neosartorya glabra by DFT calculations of NMR chemical shifts and coupling constants

RSC Advances ◽  
2015 ◽  
Vol 5 (46) ◽  
pp. 36858-36864 ◽  
Author(s):  
Yang Li
Keyword(s):  
Natural Products ◽  
Dft Calculations ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Proton Proton ◽  
Structural Revision ◽  
Proton Coupling ◽  
Vicinal Proton ◽  
C Nmr

The 13C NMR spectra and vicinal proton–proton coupling constants of two tricyclic macrolactone natural products were analyzed using computational methods, which resulted in their structural revisions.

Intramolecular surfaces for vicinal proton–proton coupling constants3JHH

2014 ◽  
Vol 112 (16) ◽  
pp. 2138-2154
Author(s):  
Ernesto Díez ◽  
Angel L. Esteban ◽  
Jesús San Fabián ◽  
María P. Galache ◽  
Jorge Casanueva ◽  
...  
Keyword(s):  
Proton Proton ◽  
Proton Coupling ◽  
Vicinal Proton

Interpretation of vicinal proton-proton coupling constants of heteroaromatic molecules in terms of topological electron density descriptors

2010 ◽  
Vol 48 (11) ◽  
pp. 866-872 ◽  
Author(s):  
Ernesto Sánchez-Mendoza ◽  
Jesús Hernández-Trujillo
Keyword(s):  
Electron Density ◽  
Coupling Constants ◽  
Proton Proton ◽  
Proton Coupling ◽  
Vicinal Proton

Prediction of Anti and gauche vicinal proton-proton coupling constants for hexapyranose rings using a generalized karplus equation

2010 ◽  
Vol 89 (2) ◽  
pp. 125-131 ◽  
Author(s):  
C. A. G. Haasnoot ◽  
F. A. A. M. De Leeuw ◽  
C. Altona
Keyword(s):  
Coupling Constants ◽  
Proton Proton ◽  
Karplus Equation ◽  
Proton Coupling ◽  
Vicinal Proton

scholarly journals Vibrational contributions to vicinal proton–proton coupling constants3JHH

2010 ◽  
Vol 108 (5) ◽  
pp. 583-595 ◽  
Author(s):  
Angel L. Esteban ◽  
Ernesto Díez ◽  
Maria P. Galache ◽  
Jesus San Fabián ◽  
Jorge Casanueva ◽  
...  
Keyword(s):  
Proton Proton ◽  
Proton Coupling ◽  
Vicinal Proton

Prediction of vicinal proton–proton coupling constants3JHHfrom density functional theory calculations

2005 ◽  
Vol 103 (9) ◽  
pp. 1307-1326 ◽  
Author(s):  
Ernesto Díez * ◽  
Jorge Casanueva ◽  
Jesus San Fabián ◽  
Angel L. Esteban ◽  
Maria P. Galache ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Proton Proton ◽  
Proton Coupling ◽  
Vicinal Proton
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