Ab initio NMR chemical-shift calculations based on the combined fragmentation method
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2013/CP/C3CP50406A
Reference75 articles.
1. Determination of Protein Structures in the Solid State from NMR Chemical Shifts
2. C13Shift: a computer program for the prediction of carbon-13 NMR spectra based on an open set of additivity rules
3. Using Neural Networks for 13C NMR Chemical Shift Prediction–Comparison with Traditional Methods
4. 13C NMR chemical shift sum prediction for alkanes using neural networks
5. Structure-Based Predictions of 1H NMR Chemical Shifts Using Feed-Forward Neural Networks
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