DSpace Repository

Browsing Mühendislik Fakültesi by Author "Çankaya Ünversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği Bölümü"

Browsing Mühendislik Fakültesi by Author "Çankaya Ünversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği Bölümü"

Sort by: Order: Results:

  • Dft Study of Al Doped Cage B12hn Clusters 
    Böyükata, Mustafa; Güvenç, Ziya B. (Pergamon-Elsevier Science LTD, 2011-07)
    Density Functional Theory (DFT) with B3LYP/6-311++g** level has been performed to investigate the electronic structures of cage B12Hn for up to n <= 12 and AlB12Hn for up to n <= 13. Moreover, the computations has been ...
  • Dynamics of the D(2)+Ni(100) collision system: Analysis of the reactive and inelastic channels 
    Böyükata, Mustafa; Güvenç, Büşra; Jackson, Bret; Jellinek, Johanna (Wiley-Blackwell, 2001)
    The reactive and scattering channels of the D(2)(v, j) + Ni(100) collision system are studied using quasiclassical molecular dynamics simulations. The interaction between the D(2) and the atoms of the surface is modeled ...
  • Eley-Rideal and hot atom reactions between hydrogen atoms on Ni(100): electronic structure and quasiclassical studies 
    Güvenç, Ziya B.; Sha, Xianwei; Jackson, Bret (Amer Inst Physics, 2001-11-15)
    The reactions of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Ni(100) surface are studied. Electronic structure calculations based on density functional theory are used to examine the interaction of H atoms ...
  • Structure and reactivity of Ni(n) (n=7-14, 19) clusters 
    Böyükata, Mustafa; Güvenç, Ziya B.; Özçelik, Süleyman; Durmuş, Perihan; Jellinek, Julius (Wiley-Blackwell, 2001)
    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 ...