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Browsing by Author "Jellinek, Julius"

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    Article
    D2 +Nin(T), n=7 and 9, Collision System
    (1999) Güvenç, Ziya Burhanettin; Durmuş, Perihan; Özçelik, Süleyman; Güvenç, Ziya Burhanettin; Jellinek, Julius; Bilgisayar Mühendisliği
    In this study the kinetics of reactions of Nin n=7 and 9, clusters with a deuterium D2 molecule are studied via quasiclassical molecular dynamics. Dissociative chemisorption probabilities as functions of impact parameters, collision energies, and a rovibrational state of a molecule are calculated. And the corresponding reactive cross sections are evaluated. Resonance formation in the low collision energy region is discussed.
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    Article
    Fragmentation of a Non-Rotating Ni19 Cluster: A Molecular Dynamics Study
    (1999) Güvenç, Ziya Burhanettin; Çivi, Mehmet; Güvenç, Ziya Burhanettin; Jellinek, Julius; Bilgisayar Mühendisliği
    Collisionless fragmentation of a non-rotating Ni19 cluster is studied using constant-energy molecular dynamics computer simulations. The cluster is modelled by an embedded atom model (EAM) energy surface. Distribution of the channel-specific fragmentation probabilities, and global rate constants are computed and analyzed as functions of the internal energy of the cluster. The results are compared with those obtained using the RRK statistical approach, and also compared with the other multi-channel fragmentation work.