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Substituent-induced C-13 chemical shifts of 3-substituted camphors
(John Wiley & Sons LtdW SussexInglaterra, 2001)
Correlation Between Experimental and DFT/GIAO Computed 13C NMR Chemical Shifts. A Theoretical Study on Pentacyclic Terpenoids (fernenes)
(Elsevier Science, 2010-08)
The 13C chemical shifts of 15 pentacyclic terpenoids (fernenes) are compared to predicted 13C NMR chemical shifts obtained via empirically scaled GIAO shieldings. We report that accurate (rms error approx. 1.5 ppm) predictions ...
A complete H-1 and C-13 NMR data assignment for the diterpene methyl (-)-zanzibarate by 2D spectroscopy and NOE experiments
(John Wiley & Sons LtdChichesterInglaterra, 2004)
Mapping of protein structural ensembles by chemical shifts
(Springer NetherlandsDordrecht, 2010-10)
Applying the chemical shift prediction programs SHIFTX and SHIFTS to a data base of protein structures with known chemical shifts we show that the averaged chemical shifts predicted from the structural ensembles explain ...
Combined (13)C NMR and DFT/GIAO studies of the polyketides Aurasperone A and Fonsecinone A
(Wiley-Blackwell, 2008-11-05)
Structural characterization by NMR spectroscopy and DFT calculations was performed for two dimeric naptho-gamma-pyrones, the polyketides Aurasperone A and Fonsecinone A. Experimental data ((13)C NMR chemical shifts and ...
Combined (13)C NMR and DFT/GIAO studies of the polyketides Aurasperone A and Fonsecinone A
(Wiley-Blackwell, 2008-11-05)
Structural characterization by NMR spectroscopy and DFT calculations was performed for two dimeric naptho-gamma-pyrones, the polyketides Aurasperone A and Fonsecinone A. Experimental data ((13)C NMR chemical shifts and ...
PROTON-RESONANCE SPECTRA AND SUBSTITUENT-INDUCED CHEMICAL-SHIFTS OF 3-HALOCAMPHORS
(John Wiley & Sons LtdW SussexInglaterra, 1994)
Sequential nearest-neighbor effects on computed 13Cα chemical shifts
(Springer, 2010-09)
To evaluate sequential nearest-neighbor effects on quantum-chemical calculations of 13Cα chemical shifts, we selected the structure of the nucleic acid binding (NAB) protein from the SARS coronavirus determined by NMR in ...
Total NMR chemical shift assignments of baccharis oxide via 2D-INADEQUATE
(Wiley-blackwellHobokenEUA, 1998)