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Quantum Chemical Calculations of1JCCCoupling Constants for the Stereochemical Determination of Organic Compounds
- Publication Year :
- 2013
-
Abstract
- Quantum chemical calculations of one-bond carbon-carbon coupling constants are demonstrated as potential probes for the configurational assignment of organic molecules. The stereochemical analysis of strychnine and its possible stereoisomers is presented as proof of concept.
- Subjects :
- Coupling constant
Quantum chemical
Quantitative Biology::Biomolecules
Magnetic Resonance Spectroscopy
Molecular Structure
Chemistry
Organic Chemistry
Molecular Conformation
Stereoisomerism
Strychnine
Biochemistry
Organic molecules
Models, Chemical
Computational chemistry
Organic chemistry
Physical and Theoretical Chemistry
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....ace46df57f31f62b4424be6a1218c95c