Search Results - "Mollaamin, F."

Competitive Intracellular Hydrogen-Nanocarrier Among Aluminum, Carbon, or Silicon Implantation: a Novel Technology of Eco-Friendly Energy Storage using Research Density Functional Theory by Mollaamin, F.

“…This work proposes that metallic, nonmetallic, metalloid as a semiconductor can be examined through doping on the pristine boron nitride nanocell (B 5 N 10…”
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In Situ Ti-Embedded SiC as Chemiresistive Nanosensor for Safety Monitoring of CO, CO2, NO, NO2: Molecular Modelling by Conceptual Density Functional Theory by Mollaamin, F., Monajjemi, M.

“…The adsorption of four CO, CO 2 , NO, NO 2 gas molecules in the atmosphere on titanium (Ti)‑doped monolayer SiC surface was investigated using the density…”
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Electric and Magnetic Evaluation of Aluminum–Magnesium Nanoalloy Decorated with Germanium Through Heterocyclic Carbenes Adsorption: A Density Functional Theory Study by Mollaamin, F., Monajjemi, M.

“…Heterocyclic compounds with multiple bonds and heteroatoms of nitrogen, oxygen and sulfur can be notable as corrosion inhibitors for metal surfaces. In this…”
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Structural, Electromagnetic and Thermodynamic Analysis of Ion Pollutants Adsorption in Water by Gallium Nitride Nanomaterial: a Green Chemistry Application by Mollaamin, F., Monajjemi, M.

“…Gallium nitride (Ga–N) nanocage can effectively remove alkali and alkaline earth metal ions from water. Therefore, it has been found a selective competition…”
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Selectivity and Sensitivity Evaluation of Embedded BN-Nanostructure as a Gas Detector for Air Pollution Scavenging: a Theoretical Study by Mollaamin, F., Monajjemi, M.

“…This article aims to investigate the structural, electromagnetic, and thermodynamic properties of toxic gases molecules including nitric oxide (NO), nitrogen…”
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Effect of Implanted Titanium, Vanadium or Chromium on Boron Nitride Surface for Increasing Carbon Monoxide Adsorption: Designing Gas Sensor for Green Chemistry Future by Mollaamin, F., Monajjemi, M.

“…Adsorption of toxic gas of carbon monoxide (CO) molecules by using transition metals (TM) of titanium (Ti), vanadium (V) or chromium (Cr)-doped boron nitride…”
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Theoretical Description of Electromagnetic Nonbonded Interactions of Radical, Cationic, and Anionic NH2BHNBHNH2 Inside of the B18N18 Nanoring by Monajjemi, M, Lee, V. S, Khaleghian, M, Honarparvar, B, Mollaamin, F

“…The electromagnetic nonbounded interactions of the NH2BHNBHNH2 molecule inside of the B18N18 ring have been investigated with hybrid density functional theory…”
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Computational Modelling of Boron Nitride Nanosheet for Detecting and Trapping of Water Contaminant by Mollaamin, F., Mohammadi, S., Khalaj, Z., Monajjemi, M.

“…Boron nitride (BN) is environment friendly chemical compound extracted from identical numbers of boron (B) and nitrogen (N) atoms. This research wants to…”
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Molecular Modeling Investigation of an Anti-cancer Agent Joint to SWCNT Using Theoretical Methods by Mollaamin, F., Monajjemi, M., Mehrzad, J.

“…The investigation of vinblastine intra single-walled carbon nanotube (SWCNT) has been studied by theoretical methods, and the best structural and functional…”
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Synthesis of Nano C60-[Fe3O4/SiO2/GeO2] as Efficient Catalyst Disinfection by Monajjemi, M., Mollaamin, F., Shahriari, S., Mohammadi, S.

“…The C 60 /Fe 3 O 4 /SiO 2 /GeO 2 composite was synthesized containing core/shell/shell nanomaterial by layer/layer gel method. The C 60 /Fe 3 O 4 /SiO 2 /GeO 2…”
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The Investigation of Sequence-dependent Interaction of Messenger RNA Binding to Carbon Nanotube by Monajjemi, M., Karachi, N., Mollaamin, F.

“…To investigate carbon nanotubes (CNTs) as gene delivery vehicles, it is essential to characterize their interactions with mRNA. Messenger RNA is a powerful…”
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Experimental and Theoretical Studies of ZnO Nanotubes: an Approach to Chemical Physics Characterization of ZnONTs, Including Morphology, Piezoelectric, and Density of States by Monajjemi, M., Mohammadi, S., Shahriari, S., Mollaamin, F.

“…An experimental and theoretical study of the growth of hexagonal ZnO nanotube arrays using a sol gel method and also quantume mechanics and molecular…”
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Study of Bio-nano Interaction Outlook of Amino Acids on Single-walled Carbon Nanotubes by Monajjemi, M., Yamola, H., Mollaamin, F.

“…We applied UV-Vis absorption spectroscopy to investigate the interaction among amino acids (Tyrosin, Glutamic acid, Histidin, and Isoleusin) as biological…”
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Theoretical Studies of Solvent Effects on Binding of Sn (CH3)2(N-acetyl-L-cysteinate) with Single-walled Carbon Nanotube by Monajjemi, M., Sobhanmanesh, A., Mollaamin, F.

“…The potential of nanotechnology to revolutionise medicine in particular seems endless, and one significant application of this technology is the use of carbon…”
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In Situ Physicochemical Assessment of Gallium Nitride Nanosheet Sensor Towards Gas Detecting: A DFT Study by Esfandiari, B., Mollaamin, F., Monajjemi, M., Aghaie, H., Zare, K.

“…This article aims to study the adsorption of hazardous gases of nitric oxide (NO), nitrogen dioxide (NO 2 ) and ammonia (NH 3 ) by using monolayer graphitic…”
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Ab initio Study of Direct Diffusion Pathway for H+, Li+, Na+, K+ Cations into the (3,3), (4,4), and (5,5) Open-Ended Single-Walled Carbon Nanotubes by Monajjemi, M., Faham, R., Mollaamin, F.

“…To probe the ability of ions to enter and leave a nanotube interior, we calculated the energetic of a direct diffusion pathway for H + , Li + , Na + , K +…”
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Molecular Structural Properties of [n]-Annulene (n = 8, 10, 12, 14) and its Boron Nitride Derivatives: Analysis of NMR, NBO, ELF and PDI by Monajjemi, M., Mollaamin, F.

“…Due to the importance of structural properties of annulene in physical and inorganic chemistry, the trajectory of the NBO to MO evolution can be written as…”
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Density Functional Theory Study on B30N20 Nanocage in Structural Properties and Thermochemical Outlook by Monajjemi, M., Jafari Azan, M., Mollaamin, F.

“…In this research, by the using group theory with the state of projection operators, a systematic method for investigating Boron nitride nanocage (B 30 N 20 )…”
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(3,3)4 Armchair Carbon Nanotube in Connection with PNP and NPN Junctions: Ab Initio and DFT-Based Studies by Monajjemi, M., Najafpour, J., Mollaamin, F.

“…Possible ways for manipulating carbon nanotubes (CNTs) with PNP and NPN junctions are studied using Restricted Hartree-Fock and density functional theory…”
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Interaction of Nano-Boron Nitride Sheets with Electrodes in Lithium Ion Battery for Increasing Voltage and Amperage by Monajjemi, M., Mollaamin, F., Shahriari, S., Khalaj, Z., Sakhaeinia, H., Alihosseini, A.

“…Nano - Boron nitride compounds have displayed a great potential as anode materials for lithium ion batteries (LIBs) due to their unique structural, mechanical,…”
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