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Structure and reactivity of Ni(n) (n=7-14, 19) clusters

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dc.contributor.author Böyükata, Mustafa
dc.contributor.author Güvenç, Ziya B.
dc.contributor.author Özçelik, Süleyman
dc.contributor.author Durmuş, Perihan
dc.contributor.author Jellinek, Julius
dc.date.accessioned 2020-04-10T12:55:12Z
dc.date.available 2020-04-10T12:55:12Z
dc.date.issued 2001
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). tr_TR
dc.identifier.issn 0020-7608
dc.identifier.uri http://hdl.handle.net/20.500.12416/3060
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. tr_TR
dc.language.iso eng tr_TR
dc.publisher Wiley-Blackwell tr_TR
dc.relation.isversionof 10.1002/qua.1323 tr_TR
dc.rights info:eu-repo/semantics/closedAccess tr_TR
dc.subject Nickel Clusters tr_TR
dc.subject Structure tr_TR
dc.subject Reactivity tr_TR
dc.subject Diatomic Molecule tr_TR
dc.subject Molecular Dynamics tr_TR
dc.title Structure and reactivity of Ni(n) (n=7-14, 19) clusters tr_TR
dc.type article tr_TR
dc.relation.journal International Journal Of Quantum Chemistry tr_TR
dc.identifier.volume 84 tr_TR
dc.identifier.issue 2 tr_TR
dc.identifier.startpage 208 tr_TR
dc.identifier.endpage 215 tr_TR
dc.contributor.department Çankaya Ünversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği Bölümü tr_TR


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