Quantum chemical characterization of the structures, thermochemical properties, and singlet-triplet splittings of didehydroquinolinium and didehydroisoquinolinium ions

Journal of Physical Chemistry A

Volumn 109, Issue 45, 2005, Pages 10348-10356

  Nash, John J ^a   Kenttämaa, Hilkka I ^a   Cramer, Christopher J ^b  

^a PURDUE UNIVERSITY   (United States)

^b University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREE OF INTERACTION; ENERGETIC PROPERTIES;

CHEMICAL REACTIONS; STABILIZATION; THERMODYNAMICS;

QUANTUM THEORY;

FREE RADICAL; ION; ISOQUINOLINE DERIVATIVE; QUINOLINE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; STEREOISOMERISM; TEMPERATURE;

FREE RADICALS; IONS; ISOQUINOLINES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTUM THEORY; QUINOLINIUM COMPOUNDS; STEREOISOMERISM; TEMPERATURE;

EID: 28244450969     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053774g     Document Type: Article

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