title: Quantum chemical calculations of 1J(CC) coupling constants for the stereochemical determination of organic compounds.
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.
authors: Dipartimento di Farmacia, Università di Salerno, Via Ponte Don Melillo, 84084 Fisciano (SA), Italy. bifulco@unisa.it
authors: Giuseppe
authors: G
authors: Bifulco
authors: Raffaele
authors: R
authors: Riccio
authors: Gary E
authors: GE
authors: Martin
authors: Alexei V
authors: AV
authors: Buevich
authors: R Thomas
authors: RT
authors: Williamson
mesh_terms: D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D008968:Molecular Conformation; D015394:Molecular Structure; D013237:Stereoisomerism; D013331:Strychnine / Q000737:chemistry*
chemical_list: D013331:Strychnine