Theoretical prediction of EPR coupling constants for the determination of the selectivity in the OH addition to toluene

Journal of Physical Chemistry A

Volumn 105, Issue 25, 2001, Pages 6226-6231

  Uc, Victor Hugo ^a   García Cruz, Isidoro ^b   Grand, André ^c   Vivier Bunge, Annik ^b  

^a UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

^b INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

^c CEA GRENOBLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; HYDROXYLATION; ISOMERS; PARAMAGNETIC RESONANCE; PHENOLS; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; XYLENE;

COUPLING CONSTANTS;

TOLUENE;

EID: 0035963797     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0100405     Document Type: Article

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