DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O

Chemical Physics Letters

Volumn 427, Issue 4-6, 2006, Pages 265-270

  Gracia, L ^a   Andres J ^a   Beltran A ^a   Sambrano, J R ^b  

^a UNIVERSITAT JAUME I   (Spain)

^b SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; DEHYDRATION; GIBBS FREE ENERGY; NITROGEN; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

DEHYDRATION REACTION; OXYGEN ATOM; PROTON DONOR; WATER-ASSISTED MECHANISM;

REACTION KINETICS;

EID: 33746862998     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.06.096     Document Type: Article

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