Browsing by Author "Kaya C."
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Force constant calculations for Hg[Co(CO)4]2 from the CO-factored force field
Kaya C.; Karakaş D. (2007)An analytical approach to solve the CO-factored force fields of Hg[Co(CO)4]2 belonging to D3d point group is described here. The approach leads to relationships which allow direct calculation of carbonyl stretching force ... -
Investigation of DNA–RNA Molecules for the Efficiency and Activity of Corrosion Inhibition by DFT and Molecular Docking
DNA and RNA molecules consist of five molecules. The activity and corrosion inhibition properties of these five molecules namely guanine, adenine, cytosine, thymine, uracil were performed by quantum chemical calculation ... -
A new approach to predicting the carbonyl stretching frequencies of Co 2(CO)8 with D3d symmetry
Kaya C.; Karakaş D.; Üstün E. (2007)This paper describes a method for determining C-O stretching frequencies of dicobalt octacarbonyl belonging to D3d point group. The method is based on the variation of fundamental C-O stretching frequencies and C-O stretching ...