AM1 and PM3 semi-empirical study of the Diels-Alder reaction between N-, P-, O- and S-substituted aromatic heterocyclic five-membered rings with acrolein

Journal of Molecular Structure: THEOCHEM

Volumn 672, Issue 1-3, 2004, Pages 35-43

  Musslimani, Tarek H ^a   Mettee, Howard ^a  

^a YOUNGSTOWN STATE UNIVERSITY   (United States)

Author keywords

Acrolein; Diels Alder reaction; Dienophile

Indexed keywords

ACROLEIN; AROMATIC COMPOUND;

ARTICLE; CHEMICAL REACTION; CORRELATION ANALYSIS; DIELS ALDER REACTION; EMPIRICISM; ENTHALPY; ENTROPY; EQUILIBRIUM CONSTANT; MATHEMATICAL COMPUTING;

EID: 1242306444     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.11.018     Document Type: Article

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