Imidazoline-N-oxyl: A DFT study of its protonation reaction

ChemPhysChem

Volumn 10, Issue 14, 2009, Pages 2419-2428

  Chenesseau, Andrine ^a   Ferré, Nicolas ^a   Marque, Sylvain R A ^a   Siri, Didier ^a  

^a AIX MARSEILLE UNIVERSITY   (France)

Author keywords

Acidity; Density functional calculations; Neighboring group effects; Proto nation radicals

Indexed keywords

ACIDITY; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; THERMOANALYSIS;

ELECTRONWITHDRAWING; FRONTIER MOLECULAR ORBITALS; MULLIKEN CHARGES; NATURAL BOND ORBITAL; NEIGHBORING-GROUP EFFECTS; PROTO NATION RADICALS; PROTONATION REACTIONS; THERMO DYNAMIC ANALYSIS;

NITROGEN OXIDES;

EID: 70349777445     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200900206     Document Type: Article

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