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Dergiler / Turkish Computational and Theoretical Chemistry / 2017 / Cilt: 1 - Sayı: 1

Metal-mediated thymine base pair complexes: A DFT study

Ayhan ÜNGÖRDÜ
Nurten TEZER
Sayfa
35–41
Yayın Tarihi
2017-06-15
DOI
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In nanoworld, this study is expected to be shown the way for future practical applications.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:The most stable of thymine-metal-thymine complexes and their geometries were determined.
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Temel Bulgular & Veri:Method was used density functional theory, B3LYP.
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Sonuç & Katkı:In nanoworld, this study is expected to be shown the way for future practical applications.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:electrical conductivity · nanowires · metal-DNA

Abstract

The most stable of thymine-metal-thymine complexes and their geometries were determined. Method was used density functional theory, B3LYP. The calculations of systems containing C, H, N, O were described by the standard 6–311++G(d,p) basis set and for transition metals standard LANL2DZ basis set were used. Egap energy values of complexes were calculated by Chemissian program. Metal-mediated thymine base pair complexes which will used as nanowires in nanotechnology were predicted. In nanoworld, this study is expected to be shown the way for future practical applications.

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Bu Makaleye Atıf Yap

ÜNGÖRDÜ, A., TEZER, N. (2017). Metal-mediated thymine base pair complexes: A DFT study. Turkish Computational and Theoretical Chemistry, Cilt: 1 - Sayı: 1, 35–41. https://ajindex.com/articles/808187

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Kaynakça (4)

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