Yazar "Erkoc, Sakir" için listeleme

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Evolution of the electronic structure and properties of charged titanium doped aluminum nanoclusters

Erdogdu, Yusuf; Erkoc, Sakir (ELSEVIER SCIENCE BV, 2013)

A systematic study of the titanium doped aluminum clusters with various spin multiplicities have been performed by using Density Functional Theory calculations at the B3LYP/6-311++G(d,p) level. The HOMO-LUMO energy gap, ...
Structural and Electronic Properties of Ti Doped Aluminum Clusters: Density Functional Theory Calculations

Erdogdu, Yusuf; Erkoc, Sakir (AMER SCIENTIFIC PUBLISHERS, 2012)

A systematic study of the titanium doped aluminum clusters with various spin multiplicities have been performed by using Density Functional Theory calculations at the B3LYP/6-311++G(d, p) level. Several properties including ...