A Density Functional Theory and ab Initio Investigation of the Oxidation Reaction of CO by IO Radicals-Reference-Cited by-同舟云学术

A Density Functional Theory and ab Initio Investigation of the Oxidation Reaction of CO by IO Radicals

Published:2016-03-03 Issue:10 Volume:120 Page:1737-1749
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Khanniche Sarah¹²,Louis Florent¹²,Cantrel Laurent³²,Černušák Ivan⁴

Affiliation:

1. University Lille, CNRS, UMR 8522-PC2A, PhysicoChimie des Processus de Combustion et de l’Atmosphère, F-59000 Lille, France

2. Laboratoire de Recherche Commun IRSN-CNRS-Lille1 “Cinétique Chimique, Combustion, Réactivité″ (C3R), Cadarache, St Paul Lez Durance, 13115, France

3. Institut de Radioprotection et de Sûreté Nucléaire (IRSN), PSN-RES, Cadarache, St Paul Lez Durance, 13115, France

4. Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Mlynská dolina CH1, 84215 Bratislava, Slovakia

Funder

Agence Nationale de la Recherche

Vedeck? Grantov? Agent?ra M?VVa? SR a SAV

Conseil r?gional du Nord-Pas-de-Calais

European Regional Development Fund

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b00047

Reference96 articles.

1. Towards a better understanding of iodine chemistry in RCS of nuclear reactors

2. Advances in mechanistic understanding of iodine behaviour in PHEBUS-FP tests with the help of ab initio calculations

3. Source term assessment with ASTEC and associated uncertainty analysis using SUNSET tool

4. ASTEC V2 severe accident integral code main features, current V2.0 modelling status, perspectives

5. Iodine–paint interactions during nuclear reactor severe accidents

Cited by 13 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Theoretical treatment of IO–X (X = N₂, CO, CO₂, H₂O) complexes;Physical Chemistry Chemical Physics;2022

2. Reactivity of Ru oxides with air radiolysis products investigated by theoretical calculations;Journal of Nuclear Materials;2022-01

3. Chemical stability of caesium iodide deposits in air/steam atmosphere;Journal of Hazardous Materials;2021-05

4. IO(X2Π)–Ar cluster: ab initio potential energy surface and dynamical computations;Physical Chemistry Chemical Physics;2020

5. Box modelling of gas-phase atmospheric iodine chemical reactivity in case of a nuclear accident;Atmospheric Environment;2019-10