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Computer-aided studies of molecular structure-comparison of measured and computed ECD spectra

โœ Scribed by Richard Moha; Verena Gossen


Book ID
115027623
Publisher
BioMed Central
Year
2012
Tongue
English
Weight
115 KB
Volume
4
Category
Article
ISSN
1758-2946

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For databases containing spectra and structures of the reference compounds, structural descriptors ('fragments') have been derived that are used for structure searches in the databases. The 190 fragments have been defined according to the contents of the Wiley/NBS Mass Spectral Database and to fragm