The O + O2 reaction: quantum detailed probabilities and thermal rate coefficients
| Autor: | Antonio Laganà, Sergio Rampino, Dimitris Skouteris |
|---|---|
| Přispěvatelé: | S., Rampino, Skouteris, Dimitrio, A., Lagana' |
| Rok vydání: | 2009 |
| Předmět: |
Hydrogen-like atom
Atom diatom reactive scattering Chemistry Quantum rate coefficient Relaxed potential surface Azimuthal quantum number Computational physics Total angular momentum quantum number Oxygen gas phase exchange reaction Angular momentum coupling Thermal Principal quantum number Range (statistics) Physical and Theoretical Chemistry Atomic physics Quantum |
| Zdroj: | Theoretical Chemistry Accounts. 123:249-256 |
| ISSN: | 1432-2234 1432-881X |
| DOI: | 10.1007/s00214-009-0524-1 |
| Popis: | The detailed quantum probabilities of the O + O2 reactive system have been computed at zero total angular momentum using the time-independent quantum program ABC thanks to the restructuring of the code and its implementation on the EGEE production Grid. Their main features are discussed and out of them J-shifting thermal rate coefficients have been computed to compare with the experiment and quasiclassical trajectory results over a wide range of temperatures. © 2009 Springer-Verlag. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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