Structure and Reactivity of Nin (n=7-14, 19) Clusters
| dc.contributor.author | Böyükata, M | |
| dc.contributor.author | Güvenç, ZB | |
| dc.contributor.author | Özçelik, S | |
| dc.contributor.author | Durmus, P | |
| dc.contributor.author | Jellinek, J | |
| dc.contributor.other | 06.01. Bilgisayar Mühendisliği | |
| dc.contributor.other | 06. Mühendislik Fakültesi | |
| dc.contributor.other | 01. Çankaya Üniversitesi | |
| dc.date.accessioned | 2020-04-10T12:55:12Z | |
| dc.date.accessioned | 2025-09-18T16:08:14Z | |
| dc.date.available | 2020-04-10T12:55:12Z | |
| dc.date.available | 2025-09-18T16:08:14Z | |
| dc.date.issued | 2001 | |
| dc.description | Ozcelik, Suleyman/0000-0002-3761-3711 | en_US |
| dc.description.abstract | Results of a computer simulation study of Ni-n (n = 7-14, 19) clusters, their structures, energetics, and reactivity with a D-2 molecule are presented. The clusters are described by an embedded atom potential, whereas the interaction between the molecule and the clusters is modeled by an LEPS (London-Eyring-Polanyi-Sato) potential energy function. The focus is on structures of the dusters and their reactive channels. The total numbers of stable isomers of the clusters are obtained by sampling their phase space, and the isomers' energy spectra are determined. On the reactive side, dissociative chemisorptions cross sections and decay-rate constants are calculated. (C) 2001 John Wiley & Sons, Inc. | en_US |
| dc.identifier.citation | Güvenç, Ziya B...et al. "Structure and reactivity of Ni(n) (n=7-14, 19) clusters" International Journal Of Quantum Chemistry, Vol.84, No.2, pp.208-215, (2001). | en_US |
| dc.identifier.doi | 10.1002/qua.1323 | |
| dc.identifier.issn | 0020-7608 | |
| dc.identifier.issn | 1097-461X | |
| dc.identifier.scopus | 2-s2.0-0035812158 | |
| dc.identifier.uri | https://doi.org/10.1002/qua.1323 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12416/14988 | |
| dc.language.iso | en | en_US |
| dc.publisher | Wiley | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Nickel Clusters | en_US |
| dc.subject | Structure | en_US |
| dc.subject | Reactivity | en_US |
| dc.subject | Diatomic Molecule | en_US |
| dc.subject | Molecular Dynamics | en_US |
| dc.title | Structure and Reactivity of Nin (n=7-14, 19) Clusters | en_US |
| dc.title | Structure and reactivity of Ni(n) (n=7-14, 19) clusters | tr_TR |
| dc.type | Article | en_US |
| dspace.entity.type | Publication | |
| gdc.author.id | Ozcelik, Suleyman/0000-0002-3761-3711 | |
| gdc.author.institutional | Güvenç, Ziya Burhanettin | |
| gdc.author.scopusid | 6507440638 | |
| gdc.author.scopusid | 6701813798 | |
| gdc.author.scopusid | 7004257790 | |
| gdc.author.scopusid | 6507653014 | |
| gdc.author.scopusid | 6604083039 | |
| gdc.author.wosid | Böyükata, Mustafa/W-3195-2017 | |
| gdc.author.wosid | Ozcelik, Suleyman/J-6494-2014 | |
| gdc.description.department | Çankaya University | en_US |
| gdc.description.departmenttemp | Cankaya Univ, Dept Comp Engn, TR-06530 Ankara, Turkey; Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA; Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA; Erciyes Univ, Dept Phys, Yozgat, Turkey; Gazi Univ, Dept Phys, TR-06500 Ankara, Turkey | en_US |
| gdc.description.endpage | 215 | en_US |
| gdc.description.issue | 2 | en_US |
| gdc.description.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| gdc.description.scopusquality | Q2 | |
| gdc.description.startpage | 208 | en_US |
| gdc.description.volume | 84 | en_US |
| gdc.description.woscitationindex | Science Citation Index Expanded | |
| gdc.description.wosquality | Q2 | |
| gdc.identifier.openalex | W2050577124 | |
| gdc.identifier.wos | WOS:000169781400007 | |
| gdc.openalex.fwci | 1.52794694 | |
| gdc.openalex.normalizedpercentile | 0.84 | |
| gdc.opencitations.count | 15 | |
| gdc.plumx.crossrefcites | 15 | |
| gdc.plumx.mendeley | 9 | |
| gdc.plumx.scopuscites | 21 | |
| gdc.scopus.citedcount | 20 | |
| gdc.wos.citedcount | 21 | |
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