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Structural characterization of carbonyl compounds by IR spectroscopy and chemometrics data analysis

✍ Scribed by Nabiollah Mobaraki; Bahram Hemmateenejad

Book ID
113531257
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
911 KB
Volume
109
Category
Article
ISSN
0169-7439

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## Abstract Experimental and calculated (B3LYP/6‐31G(d)) vibrational circular dichroism (VCD) and IR spectra are compared, illustrating that the structure and absolute configuration of ginkgolide B (GB) may be characterized directly in solution. A conformational search for GB using MacroModel and s