How well can new-generation density functionals describe protonated epoxides where older functionals fail?

Journal of Organic Chemistry

Volumn 72, Issue 1, 2007, Pages 295-298

  Zhao, Yan ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EPOXYPROPANE; PROTONATED ETHERS; UNSYMMETRICAL PROTONATED EPOXIDE;

ETHERS; PROBABILITY DENSITY FUNCTION;

EPOXY RESINS;

2 METHYL 1,2 EPOXYPROPANE; EPOXIDE; PROTON; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL REACTION KINETICS; DENSITY FUNCTIONAL THEORY; ENERGY; ENZYME ACTIVITY; RING OPENING;

EID: 33846115771     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo061863z     Document Type: Article

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