Torsion angle relationship of the 17ONMR chemical shift in α, βunsaturated carbonyl compounds

Magnetic Resonance in Chemistry

Volumn 47, Issue 10, 2009, Pages 862-867

  Mocci, Francesca ^a  

^a UNIVERSITY OF CAGLIARI   (Italy)

Author keywords

17ONMR; , unsaturated carbonyl compounds; Conformational analysis; DFT calculations; GIAO; diketones

Indexed keywords

BOND LENGTH; CHEMICAL SHIFT; CONFORMATIONS; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; KETONES; QUANTUM CHEMISTRY; TORSIONAL STRESS;

17ONMR;; BASIS SETS; CONFORMATIONAL ANALYSIS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DIKETONES; GAUGE-INCLUDING ATOMIC ORBITALS; TORSION ANGLE; UNSATURATED CARBONYL COMPOUNDS; Α, Β-UNSATURATED CARBONYL COMPOUND; Α-DIKETONE;

DIHEDRAL ANGLE;

EID: 70349437036     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2488     Document Type: Article

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