Department of Graphic Design

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Browsing Department of Graphic Design by Author "Aslantaş, M."

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    Aromatik asit içeren bazı kristallerin molekül yapılarının X-ışınları kırınımı yöntemiyle incelenmesi ve kuantum mekaniksel hesaplamaları
    (Türkiye Kimya Derneği, 2015) Aslantaş, M.; Karayel, Arzu; Çelik, Ö.; Arslan, A.
    Aromatic-structured acids and their complexes are having with biological importance, in particular molecules which are used in the food industry due to enzymatic activity and antimicrobial properties. In this study, crystal structure analyses were performed by X-ray diffraction method, and biological analysis of synthesized aromatic-structured complex molecules determined. In order to support and compare of the experimental results for these complexes, the quantum mechanical Hartree-Fock (HF) and Density Functional Theory (DFT) methods were investigated by theoretical calculations. Many information at the atomic level for the complex molecules such as, conformations in the unit cell, energies, bond lengths and angles, molecular packing, intra- and inter-molecular hydrogen bonding interactions were presented.