Transition state distortion energies correlate with activation energies of 1,4-dihydrogenations and diels-alder cycloadditions of aromatic molecules

Journal of the American Chemical Society

Volumn 131, Issue 11, 2009, Pages 4084-4089

  Hayden, Amy E ^a   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC MOLECULES; B3LYP/6-31G; DIELS-ALDER CYCLOADDITIONS; DIELS-ALDER REACTION; DISTORTION ENERGY; NITROGEN-CONTAINING HETEROCYCLES; REACTION ENERGETICS; TRANSITION STATE;

AROMATIC HYDROCARBONS; CHEMICAL REACTIONS; DENSITY FUNCTIONAL THEORY; ETHYLENE; POLYCYCLIC AROMATIC HYDROCARBONS;

ACTIVATION ENERGY;

ETHYLENE; NITROGEN; POLYCYCLIC AROMATIC HYDROCARBON;

ARTICLE; CALCULATION; CORRELATION ANALYSIS; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; DIELS ALDER REACTION; ENERGY; ENERGY TRANSFER; HYDROGENATION; NONHUMAN;

EID: 67749099629     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja809142x     Document Type: Article

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