α-Substituent effects on 13C NMR chemical shifts in some aliphatic compounds: Application of principal component analysis (PCA)

Journal of Molecular Structure

Volumn 933, Issue 1-3, 2009, Pages 15-19

  Tasic, L ^a   Rittner, R ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Substituent effects; 13C NMR; Carbonyl; Carboxyl; NMR; Unsaturated compounds

Indexed keywords

13C NMR; AB INITIO; ACETOPHENONES; ALIPHATIC COMPOUND; CARBON ATOMS; CARBONYL; CARBOXYL; CYCLOHEXANONES; FIRST PRINCIPAL COMPONENTS; HALOGEN DERIVATIVES; HETEROATOM; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MATRIX; NMR; NMR CHEMICAL SHIFTS; NMR DATA; PARTIAL CHARGES; PRINCIPAL COMPONENT MODELS; SCORE ANALYSIS; SUBSTITUENT EFFECT;

ACETONE; ATOMS; CARBONYLATION; CHEMICAL COMPOUNDS; CHEMICAL SHIFT; CYANIDES; FINANCIAL DATA PROCESSING; MOLECULAR MODELING; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE; UNSATURATED COMPOUNDS;

PRINCIPAL COMPONENT ANALYSIS;

DRYOBALANOPS;

EID: 67949083512     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.05.053     Document Type: Article

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