Ab initio based potential energy surface and kinetics study of the OH + NH3 hydrogen abstraction reaction

Journal of Chemical Physics

Volumn 138, Issue 8, 2013, Pages

  Monge Palacios, M ^a   Rangel, C ^a   Espinosa Garcia, J ^a  

^a UNIVERSITY OF EXTREMADURA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED-CLUSTER SINGLES; EXPERIMENTAL MEASUREMENTS; HIGH-LEVEL AB INITIO CALCULATIONS; HYDROGEN ABSTRACTION REACTION; KINETIC ISOTOPE EFFECTS; TRANSMISSION COEFFICIENTS; VARIATIONAL TRANSITION-STATE THEORY; WIDE TEMPERATURE RANGES;

EQUILIBRIUM CONSTANTS; ISOTOPES; KINETICS; PHASE INTERFACES; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS;

CALCULATIONS;

EID: 84874834762     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4792719     Document Type: Article

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