Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces
The statistical adiabatic channel model has been used to calculate rate coefficients for the reaction between H atoms and FO radicals on potential energy surfaces based on density functional theory and ab initio calculations between 200 and 1000 K. The rate coefficient calculated at 300 K with the a...
Guardado en:
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2000
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| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/138299 |
| Aporte de: |
| id |
I19-R120-10915-138299 |
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| record_format |
dspace |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Física Rate coefficient statistical adiabatic channel model potential energy surface FO radical |
| spellingShingle |
Física Rate coefficient statistical adiabatic channel model potential energy surface FO radical Cobos, Carlos Jorge Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces |
| topic_facet |
Física Rate coefficient statistical adiabatic channel model potential energy surface FO radical |
| description |
The statistical adiabatic channel model has been used to calculate rate coefficients for the reaction between H atoms and FO radicals on potential energy surfaces based on density functional theory and ab initio calculations between 200 and 1000 K. The rate coefficient calculated at 300 K with the ab initio potential is in good agreement with a recently reported experimental value. |
| format |
Articulo Articulo |
| author |
Cobos, Carlos Jorge |
| author_facet |
Cobos, Carlos Jorge |
| author_sort |
Cobos, Carlos Jorge |
| title |
Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces |
| title_short |
Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces |
| title_full |
Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces |
| title_fullStr |
Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces |
| title_full_unstemmed |
Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces |
| title_sort |
statistical adiabatic channel model calculations of the reaction of h atoms and fo radicals on ab initio potential energy surfaces |
| publishDate |
2000 |
| url |
http://sedici.unlp.edu.ar/handle/10915/138299 |
| work_keys_str_mv |
AT coboscarlosjorge statisticaladiabaticchannelmodelcalculationsofthereactionofhatomsandforadicalsonabinitiopotentialenergysurfaces |
| bdutipo_str |
Repositorios |
| _version_ |
1764820457051127808 |