Konu "Dft" için Kimya Bölümü listeleme
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A semi-empirical and density functional theory study of 2,2',3,4-tetrahydroxy-3'-sulpho azobenzene derivatives and their zirconium complexes
(2013)In this study, certain theoretical properties of three tetrahydroxyazo derivatives and their zirconium complexes, such as stability, reactivity, geometry and energy have been calculated by MOPAC2009 with the PM6 method and ... -
Synthesis of some alkylaminothiophene derivatives from 3,4-dibromothiophene and their theoretical calculations
(Elsevier Ltd, 2019)In this study, the copper catalyzed amination reactions of 3,4-dibromothiophene with some primary, cyclic and acyclic secondary amines were investigated to prepare novel electron rich-thiophenes which are expected to be ...