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عنوان البحث | تاريخ النشر | اسم المجلة | رابط |
---|---|---|---|
Investigation the sensing behavior of pristine and Ti-doped C2N monolayer toward H2S gas | 2023-04-01 | Inorganic Chemistry Communications | عرض |
A computational study on the potential application of metal-doped AlN nanotubes for chloroform detection | 2023-04-01 | Computational and Theoretical Chemistry | عرض |
Removal of As2O3 gaseous by using C3N monolayer adsorbent: DFT study | 2023-04-01 | Diamond and Related Materials | عرض |
Study the effect of salicylic acid and π -linkage of electrical and optical properties of organic based solar cell | 2023-04-01 | Chemical Papers | عرض |
The potential of pure and atom-decorated AlP nano-sheet as a drug delivery system for procarbazine: A DFT approach | 2023-04-01 | Computational and Theoretical Chemistry | عرض |
Strong reactivity and electronic sensitivity of Au-decorated BC3 nanotubes toward the phenylpropanolamine drug | 2023-03-01 | Applied Physics A Materials Science and Processing | عرض |
B3O3 monolayer an emerging 2D material in as a carrier for anticancer delivery system | 2023-02-15 | Materials Chemistry and Physics | عرض |
Application of zinc oxide nano-tube as drug-delivery vehicles of anticancer drug | 2023-02-01 | Journal of Molecular Modeling | عرض |
Study the application of nitrogenated holey graphene (C2N) nanosheets as a high-performance anode material for magnesium ion battery (MIB): DFT study | 2023-02-01 | Inorganic Chemistry Communications | عرض |
The effect of Stone–Wales defect on the sensitivity of a ZnO monolayer in detection of PH3 and AsH3 gases: a DFT study | 2023-02-01 | Applied Physics A Materials Science and Processing | عرض |
Application of pure and Ti-decorated AlP nano-sheet in the dacarbazine anti-cancer drug delivery: DFT calculations | 2023-02-01 | Computational and Theoretical Chemistry | عرض |
DFT investigation for the adsorption of acrolein onto the surface of pristine and doped C70: NBO and QTAIM analyses | 2023-02-01 | Computational and Theoretical Chemistry | عرض |
The Cd-decorated AlN nanotube as a potential chemical sensor for chloropicrin: DFT studies | 2023-02-01 | Computational and Theoretical Chemistry | عرض |
Pristine, Co, Rh, and, Ir decorated aluminum phosphide nano-sheet semiconductors as viable chemical sensors for cathinone | 2023-02-01 | Inorganic Chemistry Communications | عرض |
Monolayer of B3O3 as a promising material in anode of magnesium-ion batteries: A theoretical study | 2023-02-01 | Computational and Theoretical Chemistry | عرض |
BeO nanotube as a promising material for anticancer drugs delivery system | 2023-01-01 | Computer Methods in Biomechanics and Biomedical Engineering | عرض |
Quantum mechanical survey on the electronic sensitivity of aluminium phosphide monolayer toward halogen gases | 2023-01-01 | Molecular Simulation | عرض |
A computational investigation on the cyclohexylamine recognition using the pure and Cu-doped BN nanotube | 2023-01-01 | Molecular Simulation | عرض |
Analysis of the protection of copper corrosion by using amino acid inhibitors | 2023-01-01 | Journal of Molecular Modeling | عرض |
Experimental and theoretical investigation of 5-(5-bromothiophen-2-yl)oxazole as a highly effective corrosion inhibitor for mild steel in 1 M hydrochloric acid | 2023-01-01 | International Journal of Corrosion and Scale Inhibition | عرض |
Application of B3O3 monolayer as an electrical sensor for detection of formaldehyde gas: A DFT study | 2023-01-01 | Computational and Theoretical Chemistry | عرض |
Evaluation of the role perfect and defect boron nitride monolayer in calcium ion batteries as a anode | 2023-01-01 | Computational and Theoretical Chemistry | عرض |
AlC3 monolayer as an efficient adsorbent for removal of edifenphos molecule: a density functional theory study | 2023-01-01 | Phosphorus Sulfur and Silicon and the Related Elements | عرض |
Detection of nitrotyrosine (Alzheimer's agent) by B24N24 nano cluster: A comparative DFT and QTAIM insight | 2023-01-01 | Inorganic Chemistry Communications | عرض |
Engineering promising A-π-D type molecules for efficient organic-based material solar cells | 2023-01-01 | Molecular Simulation | عرض |