Browsing Araştırma Çıktıları by Subject "nanowires"
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Effect on frontier molecular orbitals of substituents in 5-position of uracil base pairs in vacuum and water
(WORLD SCIENTIFIC PUBL CO PTE LTD, 2017)The most stable structure of 5-substituted uracil base pairs and metal-mediated-5-substituted uracil complexes are determined. Density functional theory (DFT) method is used in the calculations which are carried out both ...