Reactive scattering of an electronically excited nitrogen atom with H2 and its isotopic variants:N(2D)H2/D2/T2
Yazarlar (1)
Prof. Dr. Emine TANIŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Computational and Theoretical Chemistry | ||
| Dergi ISSN | 2210-271X Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2016 |
| Cilt / Sayı / Sayfa | 1081 / 1 / 38–43 | DOI | 10.1016/j.comptc.2016.02.010 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S2210271X16300329 | ||
| 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 |
Science Direct
Reactive scattering of an electronically excited nitrogen atom with H2 and its isotopic variants:N(2D)H2/D2/T2
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 1 |
| SCOPUS | 1 |
| Google Scholar | 2 |