Yazar "Karakaya, Mustafa" için listeleme
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Binding Energy and Stability Calculations on Hydrogenated Forms of Substituted Carbazoles as Hydrogen Storage Materials
Karakaya, Mustafa; Ucun, Fatih (İstanbul Gelişim Üniversitesi Yayınları / Istanbul Gelisim University Press, 2017-12-13)The aim of this work is to explore the stable hydrogenated forms of carbazole and 9-methylcarbazole molecules by using M06-2X density functional as computational method. Binding energies per hydrogen atom in these hydrogenated ... -
H2-Anion Interactions and Energy Calculations for Imidazolium-based Ionic Liquids as Hydrogen Storage Materials
Karakaya, Mustafa; Ucun, Fatih (İstanbul Gelişim Üniversitesi Yayınları / Istanbul Gelisim University Press, 2016-03-23)The aims of this study are to explore the molecular hydrogen-anion interactions and assess the energy calculations in imidazolium-based compounds. The stable modes were structurally discussed after the achieving optimizations ...
