13C NMR Spectral Prediction by Means of Generalized Atom Center Fragment Method
Knowledge-based NMR spectral prediction relies on the correlations between substructures and sub-spectra. To extract the correlations, a systematic substructure measurement has been developed to classify substructures according to their chemical shift values. Historically, the atom center fragment (...
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| Format: | Article |
| Language: | English |
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MDPI AG
1997-08-01
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| Series: | Molecules |
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| Online Access: | http://www.mdpi.com/1420-3049/2/8/114/ |