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Open Access Article
1 - The Possibility of Selective Adsorption and Sensing of the Noble Gaseous Species by the C20 Fullerene, the Graphene Sheets, and the N4B4 Cluster
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Open Access Article
2 - Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of Tetryl by Density Functional Theory
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Open Access Article
3 - Theoretical investigation about the adsorption of the Sarin nerve agent on C20 fullerene and its boron-doped derivative
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Open Access Article
4 - Fullerene (C24) as a Nanocarrier for Procarbazine Anticancer Drug: A Density Functional Theory Investigation
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Open Access Article
5 - Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of 3-picrylamino-1, 2, 4-triazole by Density Functional Theory
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Open Access Article
6 - Cyeloaddition Reactions Between C30 and Huta- 1,3 -diene An ab initio Study
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Open Access Article
7 - Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
Fatih Ucun Serkan Kaya Halil Oturak -
Open Access Article
8 - Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes
Avat (Armen) Taherpour Karim Zare Leila Bakhtiari -
Open Access Article
9 - Free Energies of Electron Transfer, Electrochemical Properties, Electron Transfer Kinetic Theoretical and Quantitative Structural Relationship Studies of Cn@X-[HbA] (HbA=Hemoglobin A; X= - and -Fumarate Crosslinked Hemoglobins (XL & XL)) Nanostructure Complexes
Avat (Arman) Taherpour Leila Fathiyan -
Open Access Article
10 - A Comparative DFT Study on Structural and Electronic Properties of C24 and Some of Its Derivatives: C12B6N6, B6N6C12 and B12N12
M. Anafche F. Naderi -
Open Access Article
11 - Electronic Properties of Hydrogen Adsorption on the Silicon- Substituted C20 Fullerenes: A Density Functional Theory Calculations
F. R. Nikmaram Jamshid Najafpour