The 1δg dioxygen ene reaction with propene: A density functional and multireference perturbation theory mechanistic study

Chemistry - A European Journal

Volumn 9, Issue 11, 2003, Pages 2616-2626

  Maranzana, Andrea ^a   Ghigo, Giovanni ^a   Tonachini, Glauco ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

Ab initio calculations; Density functional calculations; Ene reaction; Reaction mechanisms; Singlet oxygen

Indexed keywords

HYDROGEN BONDS; HYDROGEN PEROXIDE; PERTURBATION TECHNIQUES;

ENERGY BARRIERS;

HYDROCARBONS;

AMPHOLYTE; DIOXYGENENE; HYDROGEN; HYDROPEROXIDE; OXYGEN; PROPYLENE; RADICAL; SINGLET OXYGEN; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; ARTIFACT; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; ENERGY; ENERGY TRANSFER; MULTIREFERENCE PERTURBATION THEORY; REACTION ANALYSIS; THEORY;

EID: 84962343607     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200204522     Document Type: Article

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