The effect of initial rotation in the N(2D)+H2→NH(3Σ−)+H reaction
Yazarlar (4)
Ezman Karabulut Bitlis Eren Üniversitesi, Türkiye
Prof. Dr. Emine TANIŞ Kırşehir Ahi Evran Üniversitesi, Türkiye
Klos Jacek
Niyazi Bulut Fırat Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Chemical Physics (Q2) | ||
| Dergi ISSN | 0301-0104 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2014 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 441 / 0 / 53–58 | DOI | 10.1016/j.chemphys.2014.07.003 |
| Makale Linki | http://dx.doi.org/10.1016/j.chemphys.2014.07.003 | ||
| Özet |
| In this work, total reaction probabilities, integral cross sections and rate constants were calculated for selected initial rotational states of the H2 molecule in the N(2D) + H2 reaction. Time dependent wave packet method combined with Centrifugal Sudden approximation was used and followed by a flux analysis on recently developed NH2(12A′′) global potential energy surface. We also investigated the effect of the projection quantum number of the initial rotational state on the reactivity. Total reaction probabilities were calculated for all values of the total angular momentum, J, in the range from 0 to 40. The effects of the initial rotational excitation of the H2 reactant and of its projection quantum number on the behavior of rate constants were studied. The reaction rate constants are compared with previously published experimental and theoretical results. It was found that the initial rotation and its projection have a big … |
| Anahtar Kelimeler |
| Reaction probability | Integral cross sections | Rate constants |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 7 |
| Web of Science | 6 |