Deniz Ulaştırma İşletme Mühendisliği Bölümü Koleksiyonu by Institution Author "Akdeniz, Zehra"
Now showing items 1-4 of 4
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Chemical Reactivity Perspective into the Group 2B Metals Halides
Özen, Alimet Sema; Akdeniz, Zehra (Amer Chemical Soc, 2016)Chemical reactivity descriptors within the conceptual density functional theory can be used to understand the nature of the interactions between two monomers of the Group 2B metal halides. This information might be valuable ... -
The origins of tetrahedral coordination in molten and glassy ZnCl2 and other group-2B metal dihalides
Özen, Alimet Sema; Akdeniz, Zehra; Ruberto, R.; Pastore, G.; Tosi, M. P. (Elsevier, 2014)We report the results of first-principles calculations carried out within a relativistic density-functional method, on the molecular trimers of the MX2 compounds (with M = Zn or Cd and X = Cl, Br, or I), showing how a ... -
Repetitive Rolling of Triptycene-Based Molecules on Cu Surfaces
Konuk, Mine; Medran, Melihat; Uysal, Mehmet Tuna; Beşer, Deniz; Özen, Alimet Sema; Akdeniz, Zehra; Durukanoğlu, Sondan (American Chemical Society, 2024)The metal surface-supported rotation of artificial molecular structures is technologically important for developing molecular-level devices. The key factors leading to the practical applications of these molecular machines ... -
Structure of trimers of group-2B metal dihalides from relativistic density-functional calculations
Özen, Alimet Sema; Akdeniz, Zehra; Pastore, G.; Ruberto, R.; Tosi, M. P. (Taylor & Francis Ltd, 2015)We report density-functional calculations, carried out in a quantum-chemical approach using localised-Gaussians expansions of the Kohn-Sham orbitals, for metal dihalides trimers (MX2)(3), where X=Cl, Br, or I and M=Zn, Cd, ...
