A density functional theory study on the electrocyclization of 1,2,4,6-heptatetraene analogues: Converting a pericyclic to a pseudopericyclic reaction

Chemistry - A European Journal

Volumn 11, Issue 20, 2005, Pages 5966-5974

  Cabaleiro Lago, Enrique M ^a   Rodríguez Otero, Jesús ^b   García López, Rosa M ^a   Peña Gallego, Angeles ^b   Hermida Ramón, Jose M ^c  

^a Facultade de Ciencias   (Spain)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^c UNIVERSITY OF VIGO   (Spain)

Author keywords

Aromaticity; Density functional calculations; Electrocyclic reactions; Transition states

Indexed keywords

CHEMICAL ANALYSIS; ELECTRONS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

AROMATICITY; DENSITY FUNCTIONAL CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTROCYCLIC REACTIONS; TRANSITION STATE;

AROMATIC COMPOUNDS;

EID: 26844545495     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200401234     Document Type: Article

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