| dc.contributor.author | Tanis, Emine | |
| dc.date.accessioned | 2019-11-24T21:00:00Z | |
| dc.date.available | 2019-11-24T21:00:00Z | |
| dc.date.issued | 2016 | |
| dc.identifier.issn | 2210-271X | |
| dc.identifier.issn | 1872-7999 | |
| dc.identifier.uri | https://dx.doi.org/10.1016/j.comptc.2016.02.010 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12513/3356 | |
| dc.description | WOS: 000372679300006 | en_US |
| dc.description.abstract | Total reaction probabilities, integral cross sections and total rate constants of the N(D-2) + H-2 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. (C) 2016 Elsevier B.V. All rights reserved. | en_US |
| dc.description.sponsorship | Ahi Evran University - TurkeyAhi Evran University [PYO-FEN.4001.13.004] | en_US |
| dc.description.sponsorship | The author is grateful to Prof. Dr. Niyazi Bulut for providing computational support. This work was supported by Ahi Evran University - Turkey through a Project (PYO-FEN.4001.13.004). The numerical calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center. The author is thankful to TUBITAK and Ahi Evran University BAP. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | ELSEVIER SCIENCE BV | en_US |
| dc.relation.isversionof | 10.1016/j.comptc.2016.02.010 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Reaction kinetics | en_US |
| dc.subject | Isotope effect | en_US |
| dc.subject | Centrifugal sudden approximation | en_US |
| dc.title | Reactive scattering of an electronically-excited nitrogen atom with H-2 and its isotopic variants: N(D-2) + H-2/D-2/T-2 | en_US |
| dc.type | article | en_US |
| dc.relation.journal | COMPUTATIONAL AND THEORETICAL CHEMISTRY | en_US |
| dc.contributor.department | Kırşehir Ahi Evran Üniversitesi, Sağlık Hizmetleri Meslek Yüksekokulu, Tıbbi Hizmetler ve Teknikler Bölümü | en_US |
| dc.identifier.volume | 1081 | en_US |
| dc.identifier.startpage | 38 | en_US |
| dc.identifier.endpage | 43 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
