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Иш: Assessing BeO, MgO, and CaO nanocages for a facile detection of hazardous phosgene oxime along with DFT calculations

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6-31G* basis set for atoms K through Zn
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Polarizable continuum model
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A possible definition of basis set superposition error
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Sensing the formaldehyde pollutant by an enhanced BNC18 fullerene: DFT outlook
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Мақола20235 иқтибос
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Adsorption of thiotepa anticancer by the assistance of aluminum nitride nanocage scaffolds: A computational perspective on drug delivery applications
G.G. Reivan Ortiz, Bernardo Céspedes Panduro, I. Saba +7
Мақола20234 иқтибос
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A facile detection of ethanol by the Be/Mg/Ca-enhanced fullerenes: Insights from density functional theory
Farzad Toiserkani, M. Mirzaei, Veysel Alcan +2
Мақола20234 иқтибос
ABI
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Бошқа4 иқтибос
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The drug delivery of hydrea anticancer by a nanocone-oxide: Computational assessments
Mustafa M. Kadhim, Nazanin Sheibanian, Danial Ashoori +4
Мақола20224 иқтибос
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DFT study of gas adsorption and sensing based on noble metal (Ag, Au and Pt) functionalized boron selenide nanosheets
Yuanyuan Yu, Chunfeng Dai
Мақола20203 иқтибос
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Computational assessments of sensing functions of an oxygen-decorated silicon carbide nanocage for the adsorption of mesalazine drug
Mohamed J. Saadh, Kun Harismah, M.C. Ruiz-Balvin +6
Мақола20232 иқтибос
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Sensing functions of an iron-doped boron nitride nanocone towards acetaminophen and its thio/thiol analogs: A DFT outlook
Mohamed J. Saadh, Ali H. Amin, S. Farhadiyan +8
Мақола20232 иқтибос
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Carbon based materials: a review of adsorbents for inorganic and organic compounds
Mohammad Mehdi Sabzehmeidani, Sahar Mahnaee, Mehrorang Ghaedi +2
Шарҳ мақола20212 иқтибос
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Nanotechnology and Health Safety – Toxicity and Risk Assessments of Nanostructured Materials on Human Health
Surya Pratap Singh, Hari Singh Nalwa
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Enhancing adsorption capacity of nano-adsorbents via surface modification: A review
Milton Manyangadze, N.H.M. Chikuruwo, T. Bala Narsaiah +3
Шарҳ мақола20192 иқтибос
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Utilization of Gas Sensor Array and Principal Component Analysis to Identify Fish Decomposition Level
Budi Sumanto, Muhammad Fakhrurrifqi
Мақола20202 иқтибос
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Carbon nanotubes: functionalisation and their application in chemical sensors
Mohd Nurazzi Norizan, Muhammad Harussani Moklis, Siti Zulaikha Ngah Demon +5
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Recent Developments in Graphene-Based Toxic Gas Sensors: A Theoretical Overview
H. Cruz‐Martínez, H. Rojas‐Chávez, F. Montejo‐Alvaro +3
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