Accurate prediction of the optical rotation and NMR properties for highly flexible chiral natural products
Author:
Affiliation:
1. School of Chemical and Physical Sciences
2. Victoria University of Wellington
3. Wellington
4. New Zealand
5. Center for Biodiscovery
6. Centre for Theoretical Chemistry and Physics
Abstract
Despite advances in electronic structure theory the theoretical prediction of spectroscopic properties remains a computational challenge.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP04828E
Reference42 articles.
1. Identification and Bioactivity of 3-epi-Xestoaminol C Isolated from the New Zealand Brown Alga Xiphophora chondrophylla
2. Correlation of configuration and fluorine-19 chemical shifts of .alpha.-methoxy-.alpha.-trifluoromethylphenyl acetate derivatives
3. Control of metabolism and signaling of simple bioactive sphingolipids: Implications in disease
4. Addressing the stereochemistry of complex organic molecules by density functional theory-NMR
5. Conformation Design of Open-Chain Compounds
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