Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 4: Bicycloalkanes

Magnetic Resonance in Chemistry

Volumn 41, Issue 6, 2003, Pages 417-430

  Krivdin, Leonid B ^a  

^a ANGARSK STATE TECHNICAL UNIVERSITY   (Russian Federation)

Author keywords

Basis set; Bicycloalkanes; Carbon carbon spin spin coupling constants; Electronic correlation; NMR; SOPPA

Indexed keywords

BENCHMARKING; CARBON; COMPUTATIONAL GEOMETRY; PARAFFINS;

BASIS SETS; BICYCLOALKANES; CARBON CARBONS; CARBON-CARBON SPIN-SPIN COUPLING CONSTANT; COUPLING CONSTANTS; ELECTRONIC CORRELATION; NON-ADDITIVITY; S FUNCTION; SOPPA; SPIN-SPIN COUPLING CONSTANTS;

COUPLINGS;

ALKANE DERIVATIVE; BICYCLO COMPOUND; BICYCLO[1.1.1]PENTANE; BICYCLO[2.1.1]HEXANE; BICYCLO[2.2.2]OCTANE DERIVATIVE; BICYCLO[3.1.1]HEPTANE DERIVATIVE; BICYCLO[3.2.1]OCTANE DERIVATIVE; BICYCLO[3.2.2]NONANE; BICYCLO[3.3.2]DECANE; BICYCLO[3.3.3]UNDECANE; BRIDGED COMPOUND; CARBON; HYDROGEN; PROTON; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CORRELATION ANALYSIS; GEOMETRY; MATHEMATICAL COMPUTING; NUCLEAR MAGNETIC RESONANCE; RELIABILITY;

EID: 0038054758     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1198     Document Type: Article

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