In silico-DFT investigation of nanocluster alloys of Al-(Mg, Ge, Sn) coated by nitrogen heterocyclic carbenes as corrosion inhibitors

F Mollaamin, M Monajjemi - Journal of Cluster Science, 2023 - Springer
Aluminum alloys with magnesium are broadly applied as structural materials for their high
ductility and remarkable corrosion resistance. As the strongest alloys of this system have low …

Tailoring and functionalizing the graphitic-like GaN and GaP nanostructures as selective sensors for NO, NO2, and NH3 adsorbing: a DFT study

F Mollaamin, M Monajjemi - Journal of Molecular Modeling, 2023 - Springer
Context Langmuir adsorption of gas molecules of NO, NO2, and NH3 on the graphitic GaN
and GaP sheets has been accomplished using density functional theory. The changes of …

Nanocluster of aluminum lattice via organic inhibitors coating: A study of freundlich adsorption

F Mollaamin, S Shahriari, M Monajjemi… - Journal of Cluster …, 2023 - Springer
The adsorption analysis of some organic inhibitors consisting of Pyridine, 2-Methylpyridine,
3-Methylpyridine, 4-Methylpyridine and 2, 4-Dimethylpyridine onto aluminum (111) metal …

Corrosion Inhibiting by Some Organic Heterocyclic Inhibitors Through Langmuir Adsorption Mechanism on the Al-X (X = Mg/Ga/Si) Alloy Surface: A Study of …

F Mollaamin, M Monajjemi - Journal of Bio-and Tribo-Corrosion, 2023 - Springer
The physicochemical attributes of inhibitor→ metal & metal alloys nanosheet can be one of
the fundamental factors for recognizing determining and selecting the Langmuir adsorption …

Application of DFT and TD-DFT on Langmuir adsorption of nitrogen and sulfur heterocycle dopants on an aluminum surface decorated with magnesium and silicon

F Mollaamin, M Monajjemi - Computation, 2023 - mdpi.com
In this study, we investigated the abilities of nitrogen and sulfur heterocyclic carbenes of
benzotriazole, 2-mercaptobenzothiazole, 8-hydroxyquinoline, and 3-amino-1, 2, 4-triazole-5 …

Computational methods in the drug delivery of carbon nanocarriers onto several compounds in Sarraceniaceae medicinal plant as monkeypox therapy

F Mollaamin - Computation, 2023 - mdpi.com
In this article, monkeypox is studied as a zoonotic poxvirus disease which can occur in
humans and other animals due to substitution of the amino acid serine with methionine. We …

electric and magnetic evaluation of aluminum–magnesium nanoalloy decorated with germanium through heterocyclic carbenes adsorption: A density functional theory …

F Mollaamin, M Monajjemi - Russian Journal of Physical Chemistry B, 2023 - Springer
Heterocyclic compounds with multiple bonds and heteroatoms of nitrogen, oxygen and
sulfur can be notable as corrosion inhibitors for metal surfaces. In this work, Ge-doped Al …

Treating omicron BA. 4 & BA. 5 via herbal antioxidant asafoetida: A DFT study of carbon nanocarrier in drug delivery

F Mollaamin, S Shahriari, M Monajjemi - Journal of the Chilean …, 2023 - SciELO Chile
Currently, the results of researches have exhibited that Omicron sub-lineages BA. 4 and BA.
5, evaluated to BA. 1 and BA. 2, deserted neutralization from sera of triple vaccinated …

[HTML][HTML] Monkeypox disease treatment by tecovirimat adsorbed onto single-walled carbon nanotube through drug delivery method

F Mollaamin, S Shahriari, M Monajjemi - Journal of the Chilean …, 2023 - SciELO Chile
In this work, it has been investigated the Monkeypox disease which occurs in both humans
and animals by infection with a double-stranded DNA virus having the symptoms consisting …

Tribocorrosion framework of (Iron, Nickel, Zinc)-doped graphene nanosheet: New sights into sulfur dioxide and hydrogen sulfide removal using DFT/TD-DFT methods

F Mollaamin, M Monajjemi - Journal of Bio-and Tribo-Corrosion, 2023 - Springer
Progress of largely selective and sensitive compounds is essential for removing two toxic
gases of hydrogen sulfide (H2S) and sulfur dioxide (SO2). The effect of Iron (Fe), Nickel (Ni) …