Density functional study of the Hoffmann elimination of (N-Cl),N-methylethanolamine in gas phase and in aqueous solution

Chemical Physics Letters

Volumn 429, Issue 4-6, 2006, Pages 425-429

  Ramos, D R ^a   Castillo, R ^b   Canle L , M ^a   Garcia M V ^a   Andres J ^b   Santaballa, J A ^a  

^a UNIVERSITY OF A CORUÑA   (Spain)

^b UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ETHANOL; GIBBS FREE ENERGY; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; PROTONS;

HOFFMANN ELIMINATION; MOLECULAR MECHANISM; PROTON RELAY MECHANISM; REACTION BARRIERS;

AMINES;

EID: 33748702693     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.08.055     Document Type: Article

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