Effect of a heteroatom on bonding patterns and triradical stabilization energies of 2,4,6-tridehydropyridine versus 1,3,5-tridehydrobenzene

Journal of Physical Chemistry A

Volumn 113, Issue 11, 2009, Pages 2591-2599

  Manohar, Prashant U ^a   Koziol, Lucas ^a   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC STATE; BENZYNE; BONDING INTERACTIONS; BONDING PATTERNS; COUPLED-CLUSTER CALCULATIONS; DOUBLE SUBSTITUTIONS; EQUILIBRIUM GEOMETRIES; HETERO ATOMS; SINGLET-TRIPLET ENERGY GAPS; SPIN FLIPS; STABILIZATION ENERGIES; STABILIZING INTERACTIONS; TOTAL INTERACTION ENERGIES; TRIRADICALS; WEAK INTERACTIONS;

ELECTRONIC STRUCTURE; EQUATIONS OF MOTION;

STABILIZATION;

EID: 64349092835     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810522e     Document Type: Article

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