Theoretical study on the molecular mechanism for the reaction of VO2+ with C2H4

Journal of Physical Chemistry A

Volumn 107, Issue 17, 2003, Pages 3107-3120

  Gracia, L ^a   Sambrano, J R ^b   Safont, V S ^a   Calatayud, M ^a   Beltran, A ^a   Andres J ^a  

^a UNIVERSITAT JAUME I   (Spain)

^b SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; GIBBS FREE ENERGY; INVERSE KINEMATICS; MOLECULAR DYNAMICS; OXIDATION; PHOTODISSOCIATION; POTENTIAL ENERGY; REACTION KINETICS; THERMODYNAMIC STABILITY; VANADIUM COMPOUNDS; VAPORIZATION;

MOLECULAR MECHANISMS; SPIN INVERSIONS;

ORGANIC COMPOUNDS;

EID: 0037666048     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0222696     Document Type: Article

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