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Determination of absolute configuration using vibrational circular dichroism spectroscopy: The chiral sulfoxide 1-thiochromanone S-oxide

โœ Scribed by F.J. Devlin; P.J. Stephens; P. Scafato; S. Superchi; C. Rosini


Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
113 KB
Volume
14
Category
Article
ISSN
0899-0042

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โœ P.J. Stephens; F.J. Devlin ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 260 KB ๐Ÿ‘ 2 views

We discuss the theoretical prediction of vibrational circular dichroism (VCD) spectra using ab initio density functional theory (DFT) and the application of this methodology to the determination of the absolute configurations and conformations of chiral molecules.