Theoretical study of the gas-phase reactions of iodine atoms ( 2P3/2) with H2, H2O, HI, and OH

Journal of Physical Chemistry A

Volumn 114, Issue 34, 2010, Pages 9270-9288

  Canneaux, Sébastien ^a,b   Xerri, Bertrand ^b   Louis, Florent ^a,b   Cantrel, Laurent ^b  

^a PhysicoChimie des Processus de Combustion et de l'Atmosphere   (France)

^b INSTITUT DE RADIOPROTECTION ET DE SÛRETÉ NUCLÉAIRE IRSN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BASIS SETS; CCSD; COMPUTATIONAL PROCEDURES; COUPLED-CLUSTER METHODS; ELECTRON EXCITATIONS; EXPERIMENTAL DATA; FINAL OBJECTIVE; GAS-PHASE REACTIONS; GEOMETRY OPTIMIZATION; HIGHLY-CORRELATED; IODINE ATOMS; KINETIC RATE CONSTANTS; LITERATURE DATA; REACTOR COOLANT SYSTEMS; SEVERE ACCIDENT; SINGLE-POINT ENERGY; SOURCE TERMS; TEMPERATURE RANGE; THEORETICAL STUDY; TRANSITION STATE THEORIES; VIBRATIONAL FREQUENCIES;

ACCIDENTS; FISSION PRODUCTS; INDUSTRIAL CHEMICALS; IODINE; PHASE INTERFACES; PRESSURIZED WATER REACTORS;

RATE CONSTANTS;

EID: 77956164714     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp104163t     Document Type: Article

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