Isotopic Effect on The Quantum Dynamics of ND+H/ NT+H Reaction
| Autor: | HEKİM, Seda |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: | |
| Zdroj: | Volume: 2, Issue: 2 59-65 Journal of Physical Chemistry and Functional Materials |
| ISSN: | 2651-3080 |
| Popis: | The time-dependent wave packet method was employed to study the ND+H and NT+H reactions on the modified NH2 potential energy surface (PES) for excited state. All the calculations are carried out using Centrifugal Sudden approximation method. So, reaction kinetics were obtained for different initial rotation quantum numbers. The role of intermolecular isotope effects on reaction kinetics was emphasized. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|