Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 6: Propellanes

Magnetic Resonance in Chemistry

Volumn 42, Issue 1, 2004, Pages 1-13

  Krivdin, Leonid B ^a  

^a ANGARSK STATE TECHNICAL UNIVERSITY   (Russian Federation)

Author keywords

Basis set; Bridgehead bridgehead bond; Carbon carbon spin spin coupling constants; Electronic correlation; Hybridization effects; Multipath coupling mechanism; NMR; Propellanes; SOPPA

Indexed keywords

COUPLINGS; NUCLEAR MAGNETIC RESONANCE;

BASIS SETS; BRIDGEHEAD-BRIDGEHEAD BOND; CARBON CARBONS; CARBON-CARBON SPIN-SPIN COUPLING CONSTANT; COUPLING MECHANISM; ELECTRONIC CORRELATION; HYBRIDIZATION EFFECTS; MULTIPATH; MULTIPATH COUPLING MECHANISM; PROPELLANES; SOPPA; SPIN-SPIN COUPLING CONSTANTS;

CARBON;

ALKANE DERIVATIVE; BRIDGED COMPOUND; CARBON;

ARTICLE; CONFORMATIONAL TRANSITION; COVALENT BOND; ELECTRON SPIN RESONANCE; EQUILIBRIUM CONSTANT; GEOMETRY; HYBRIDIZATION; NUCLEAR MAGNETIC RESONANCE; PREDICTION; RELIABILITY; STRUCTURE ANALYSIS;

EID: 0347063940     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1312     Document Type: Article

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