Non-empirical calculations of NMR indirect carbon-carbon coupling constants: 3. Polyhedranes

Magnetic Resonance in Chemistry

Volumn 41, Issue 3, 2003, Pages 157-168

  Krivdin, Leonid B ^a  

^a ANGARSK STATE TECHNICAL UNIVERSITY   (Russian Federation)

Author keywords

13C NMR; Basis set; Carbon carbon spin spin coupling constant; Electronic correlation; HF SCF; NMR; Polyhedranes; SOPPA

Indexed keywords

13C NMR; BASIS SETS; CARBON CARBONS; CARBON-CARBON SPIN-SPIN COUPLING CONSTANT; ELECTRONIC CORRELATION; HF-SCF; POLYHEDRANE; PROPAGATOR APPROACH; SECOND ORDERS; SECOND-ORDER POLARIZATION PROPAGATOR APPROACH; SPIN-SPIN COUPLING CONSTANTS;

CARBON;

CARBON; CUBANE DERIVATIVE; PRISMANE; TETRAHEDRANE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ADDITION REACTION; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CORRELATION ANALYSIS; DIELECTRIC CONSTANT; EMPIRICISM; FACTORIAL ANALYSIS; POLARIZATION; PREDICTION; STEREOCHEMISTRY;

EID: 0037280727     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1152     Document Type: Article

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