Factors determining tautomeric equilibria in Schiff bases

Journal of Molecular Structure

Volumn 1006, Issue 1-3, 2011, Pages 600-605

  Flores Leonar, Martha ^a   Esturau Escofet, Nuria ^a   Méndez Stivalet, José M ^a   Marín Becerra, Armando ^a   Amador Bedolla, Carlos ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

DFT GIAO NMR chemical shifts; Enol keto tautomer equilibrium; Schiff bases

Indexed keywords

AB INITIO AND DFT; DFT CALCULATION; ENERGY DIFFERENCES; NMR CHEMICAL SHIFTS; PRECISION LIMITS; QUANTUM CALCULATION; RELATIVE ABUNDANCE; RELATIVE EQUILIBRIA; SCHIFF BASIS; STABLE ENOL; STABLE STRUCTURES; TAUTOMERIC EQUILIBRIA; TAUTOMERIC FORMS;

ALDEHYDES; CALCULATIONS; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

FUNCTIONAL GROUPS;

EID: 82755187502     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.10.011     Document Type: Article

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