Gas-phase reaction between calcium monocation and fluoromethane: Analysis of the potential energy hypersurface and kinetics calculations

Journal of Chemical Physics

Volumn 131, Issue 14, 2009, Pages

  Varela Lvarez, Adrián ^a   Rayon V M ^b   Redondo, P ^b   Barrientos, C ^b   Sordo, Joś A ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

^b UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CONVENTIONAL THEORY; DRESDENS; EXPERIMENTAL OBSERVATION; EXPERIMENTAL VALUES; FLUOROMETHANE; FUNCTIONALS; GAS-PHASE REACTIONS; GLOBAL KINETICS; KINETICS CALCULATIONS; MONOCATIONS; POTENTIAL ENERGY HYPER SURFACES; PRE-REACTIVE COMPLEXES; SECOND IONIZATION; TRANSITION STATE;

CALCIUM; CALCIUM ALLOYS; DENSITY FUNCTIONAL THEORY; IONIZATION OF GASES; PHASE INTERFACES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; REACTION KINETICS;

RATE CONSTANTS;

EID: 70350439557     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3247287     Document Type: Article

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