Browsing Bilgisayar Mühendisliği Bölümü by Subject "Electronic-Structure"

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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 ...
The unusually stable B-100 fullerene, structural transitions in boron nanostructures, and a comparative study of alpha- and gamma-boron and sheets

Özdoğan, Cem; Mukhopadhyay, Saikat; Hayami, W.; Güvenç, Büşra; Pandey, Ravindra; Boustani, Ihsan (Amer Chemical Soc, 2010-03-18)

Solid alpha-B-12 rhombohedral and gamma-B-28 orthorhombic boron as well as boron nanostructures in the form of spheres, sheets, and multirings beside a ring consisting of icosahedral B-12 units were investigated using ab ...

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