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Toplam kayıt 25, listelenen: 21-25

Önceki Sayfa

Structural transformations in the carborane series: CnB6-nH6 (n=0-6) upon substitution of boron by carbon

Muz, İskender (Elsevier, 2016-11-01)

In this paper we examined a structural transition from three-dimensional to two-dimensional in the CnB6−nH6 (n = 0–6) series. The searches for all the isomers of clusters were performed using the stochastic search algorithm ...
Structural transition of C6-nSinNH7 at n=0-6 clusters upon substitution of carbon by silicon

Muz, İskender (Elsevier, 2019-09-01)

The structural and energetic properties of C6−nSinNH7 (n = 0–6) clusters are examined using quantum chemical methods. Global minimum and low-lying isomers are generated by Molclus program, which is an optimization strategy ...
Structure, ionization, and fragmentation of hydrogenated aluminoboron clusters: Al2B2H2n (n=0‐6)

Muz, İskender (Wiley, 2016-08-16)

This study presents a systematic investigation of the energetic and structural stabilities of Al2B2H2n (n=0-6) clusters. The potential energy surfaces of a series of these clusters have been explored using stochastic search ...
The electronic structure, transport and structural properties of nitrogen-decorated graphdiyne nanomaterials

Muz, İskender (Elsevier, 2020-11-25)

We focus on a theoretical investigation using the DFT and LC–SCC–DFTB for investigating the structural, optical and reactivity properties and electronic structure of pristine graphdiyne (GDY) and nitrogen (N)-doped hexagonal ...
Theoretical investigation of the adsorption behaviors of fluorouracil as an anticancer drug on pristine and B-, Al-, Ga-doped C36 nanotube

Muz, İskender (Elsevier, 2020-07-01)

Density functional theory (DFT) is used to examine the formation possibility of a stable interaction between 5-fluorouracil (5-FU) drug molecule and a pristine, boron (B), aluminum (Al), and gallium (Ga)-doped carbon ...