Structure of 2, 3-dicarboxy-1-methylpyridinium chloride studied by X-ray diffraction, DFT calculation, NMR, FTIR and Raman spectra
P Barczyński, M Szafran, M Ratajczak-Sitarz…
Index: Journal of Molecular Structure, , vol. 1018, p. 21 - 27
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Citation Number: 4
Abstract
... Journal of Molecular Structure. ... Linear correlations between the experimental 13 C and 1 H chemical shifts (δ exp ) of the investigated compound in DMSO-d 6 and the GIAO/B3LYP/6-311++ G(dp ... Molecular illustrations were prepared using programs ORTEPII [16] and XP [17]. ...
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