Conformation of secondary amides. A predictive algorithm that correlates DFT-calculated structures and experimental proton chemical shifts

Journal of Organic Chemistry

Volumn 68, Issue 5, 2003, Pages 1834-1842

  Avalos, Martín ^a   Babiano, Reyes ^a   Barneto, José L ^a   Cintas, Pedro ^a   Clemente, Fernando R ^a   Jiménez, José L ^a   Palacios, Juan C ^a  

^a UNIVERSITY OF EXTREMADURA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

MAGNETIC DESHIELDING;

ALGORITHMS; CARBONYLATION; CHEMICAL BONDS; CONFORMATIONS; DISCRETE FOURIER TRANSFORMS; PROTONS; SOLVENTS;

ORGANIC COMPOUNDS;

AMIDE; FORMAMIDE; PROTON;

ALGORITHM; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATION; CORRELATION ANALYSIS; MAGNETISM; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 0037424540     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo026695z     Document Type: Article

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