Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids

Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids Publisher

Mirzaei M¹ ; Gulseren O²

Show Affiliations

1. Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran
2. Department of Physics, Faculty of Science, Bilkent University, Ankara, Turkey

Source: Physica E: Low-Dimensional Systems and Nanostructures Published:2015

Abstract

Calculations based on density functional theory (DFT) have been performed to investigate the stabilities and properties of hybrid structures consisting of a molecular carbon nanotube (CNT) and uracil acetate (UA) counterparts. The investigated models have been relaxed to minimum energy structures and then various physical properties and nuclear magnetic resonance (NMR) properties have been evaluated. The results indicated the effects of functionalized CNT on the properties of hybrids through comparing the results of hybrids and individual structures. The oxygen atoms of uracil counterparts have been seen as the detection points of properties for the CNT-UA hybrids. © 2015 Elsevier B.V. All rights reserved.

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Style	Citing Format
MLA	Mirzaei M, Gulseren O. "Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids." Physica E: Low-Dimensional Systems and Nanostructures, vol. 73, no. , 2015, pp. 105-109.
APA	Mirzaei M, Gulseren O (2015). Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids. Physica E: Low-Dimensional Systems and Nanostructures, 73(), 105-109.
Chicago	Mirzaei M, Gulseren O. "Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids." Physica E: Low-Dimensional Systems and Nanostructures 73, no. (2015): 105-109.
Harvard	Mirzaei M, Gulseren O (2015) 'Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids', Physica E: Low-Dimensional Systems and Nanostructures, 73(), pp. 105-109.
Vancouver	Mirzaei M, Gulseren O. Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids. Physica E: Low-Dimensional Systems and Nanostructures. 2015;73():105-109.
BibTex	@article{ author = {Mirzaei M and Gulseren O}, title = {Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids}, journal = {Physica E: Low-Dimensional Systems and Nanostructures}, volume = {73}, number = {}, pages = {105-109}, year = {2015} }
RIS	TY - JOUR AU - Mirzaei M AU - Gulseren O TI - Dft Studies of Cnt-Functionalized Uracil-Acetate Hybrids JO - Physica E: Low-Dimensional Systems and Nanostructures VL - 73 IS - SP - 105 EP - 109 PY - 2015 ER -

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