Browsing Bilgisayar Mühendisliği Bölümü Yayın Koleksiyonu by Author "120207"

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An investigation of hydrogen bonded neutral B4Hn (n=1-11) and anionic B4H11(-1) clusters: Density functional study

Böyükata, Mustafa; Özdoğan, Cem; Güvenç, Ziya B. (Elsevier Science, 2007-03-28)

In this study, detailed analysis of the structural stability of hydrogen bonded four-atom boron clusters within the framework of density functional theory (DFT) is presented. Effects of the number of hydrogen atoms on the ...
Effects of hydrogen hosting on cage structures of boron clusters: density functional study of B(m)H(n) (m=5-10 and n <= m) complexes

Böyükata, Mustafa; Özdoğan, Cem; Güvenç, Ziya B. (IOP Publishing Ltd, 2008-02)

The structural stability of hydrogen bonded boron microclusters has been studied by using the density functional theory. Effects of the increasing number of hydrogen atoms on the cage geometries of B(5)-B(10) clusters, and ...

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