| Yazarlar (3) |
İskender Muz
Nevşehir Hacı Bektaş Veli Üniversitesi, Türkiye |
Prof. Dr. Emine TANIŞ
Türkiye |
|
Niyazi Bulut
Fırat Üniversitesi, Türkiye |
| Özet |
| The dynamics and kinetics of the Li+H{sub 2}{sup +} reaction have been studied by means of a wave packet method with flux operator approach on the ab initio potential energy surface of Martinazzo et al. Integral cross sections and rate constants have been calculated from the wave packet reaction probabilities by means of an interpolation method in combination with the Centrifugal Sudden Approximation for J>0. The effect of the helicity quantum numbers (K) on the reactivity have been investigated at selected initial state (v=0, j=0,1) quantum numbers. The calculated rate constants as function of temperature shows an Arhenius type behavior. Helicity quantum numbers have an individual efect on the reaction kinetics. The quantum mechanical results are found to be in overall good agreement with the corresponding quasiclasical trajectory data. |
| Anahtar Kelimeler |
| Bildiri Türü | Tebliğ/Bildiri |
| Bildiri Alt Türü | Özet Metin Olarak Yayınlanan Tebliğ (Uluslararası Kongre/Sempozyum) |
| Bildiri Niteliği | Alanında Hakemli Uluslararası Kongre/Sempozyum |
| Bildiri Dili | İngilizce |
| Kongre Adı | 26 th International Physics Congress |
| Kongre Tarihi | 24-09-2009 / 27-09-2009 |
| Basıldığı Ülke | |
| Basıldığı Şehir |
