| Yazarlar |
Emine TANIŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| Total reaction probabilities, integral cross sections and total rate constants of the N(2D)+H2 reaction and its isotopic variants were calculated using a time-dependent quantum wave packet method with a centrifugal sudden approximation on the latest reported global potential energy surface. The effect of rotational excitation of the diatoms and its projection quantum number on the behaviour of reaction probabilities was studied. Reaction probabilities were calculated using a flux wave packet method. The results indicate that the reaction kinetics are affected by intermolecular isotope and collision energies. |
| Anahtar Kelimeler |
| Centrifugal sudden approximation | Isotope effect | Reaction kinetics |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Computational and Theoretical Chemistry |
| Dergi ISSN | 2210-271X |
| Dergi Tarandığı Indeksler | SCI |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2016 |
| Cilt No | 1081 |
| Sayı | 1 |
| Sayfalar | 38 / 43 |
| Doi Numarası | 10.1016/j.comptc.2016.02.010 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S2210271X16300329 |
| Atıf Sayıları | |
| SCOPUS | 1 |
| Google Scholar | 2 |
