Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 11+ - Saturated carbocycles: A reference data set and a practical guide to structural elucidation

Magnetic Resonance in Chemistry

Volumn 43, Issue 2, 2005, Pages 101-116

  Krivdin, Leonid B ^a,b  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

^b ANGARSK STATE TECHNICAL UNIVERSITY   (Russian Federation)

Author keywords

Basis set; Bicycloalkanes; Bicyclobutane containing polycycloalkanes; Caged polycycloalkanes; Carbon carbon spin spin coupling constants; Electronic correlation; Monocycloalkanes; Multipath coupling mechanism; NMR; Polyhedranes; Propellanes; SOPPA; Spiroalkanes

Indexed keywords

BASIS SETS; BICYCLOALKANES; BICYCLOBUTANE-CONTAINING POLYCYCLOALKANE; CAGED POLYCYCLOALKANE; CARBON CARBONS; CARBON-CARBON SPIN-SPIN COUPLING CONSTANT; COUPLING MECHANISM; ELECTRONIC CORRELATION; MONOCYCLOALKANE; MULTIPATH; MULTIPATH COUPLING MECHANISM; POLYCYCLOALKANES; POLYHEDRANE; PROPELLANES; SOPPA; SPIN-SPIN COUPLING CONSTANTS; SPIROALKANES;

CARBON;

POLYCYCLIC HYDROCARBON;

ARTICLE; CALCULATION; HUMAN; HYBRIDIZATION; NUCLEAR MAGNETIC RESONANCE; PUBLICATION;

EID: 20444484525     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1515     Document Type: Article

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