Citations (19)
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Adita Afrin Oishi, Palash Dhali, Antu Das, Samiran Mondal, Ali Shokuhi Rad & Md. Mehade Hasan. (2022) Study of the adsorption of chloropicrin on pure and Ga and Al doped B12N12: a comprehensive DFT and QTAIM investigation. Molecular Simulation 48:9, pages 776-788.
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Md. Mehade Hasan, Md. Humaun Kabir, Md. Alamgir Badsha & Md. Rakib Hossain. (2022) A first-principles DFT study on the adsorption behaviour of CO, CO2, and O3 on pristine B24N24 and silicon-decorated B24N24 nanosheet. Phosphorus, Sulfur, and Silicon and the Related Elements 197:1, pages 54-61.
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Ali Shokuhi Rad, Saeed Ghasemi Ateni, Habib-allah Tayebi, Peiman Valipour & Vahid Pouralijan Foukolaei. (2016) First-principles DFT study of SO2 and SO3 adsorption on 2PANI: a model for polyaniline response. Journal of Sulfur Chemistry 37:6, pages 622-631.
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Ali Shokuhi Rad, Mehri Esfahanian, Sina Maleki & Gelare Gharati. (2016) Application of carbon nanostructures toward SO2 and SO3 adsorption: a comparison between pristine graphene and N-doped graphene by DFT calculations. Journal of Sulfur Chemistry 37:2, pages 176-188.
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Articles from other publishers (15)
P.U. Neenu Krishna, G.S. Gopika Krishnan & K. Muraleedharan. (2024) Enhanced sensing of SO3, SO2, HCN, and CO2 gases with [2,2':5',2''-Terthiophene]-3',4'-diamine: A theoretical study. Hybrid Advances 5, pages 100171.
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Mehreen Ashiq, Rao Aqil Shehzad, Javed Iqbal & Khurshid Ayub. (2024) Sensing applications of graphitic carbon nitride (g-C3N4) for sensing SO2 and SO3 – A DFT study. Physica B: Condensed Matter 676, pages 415661.
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Uzma Saleem, Rabia Jamil, Hafsah Nadeem, Hina Ahmed, Shaimaa A.M. Abdelmohse, Meznah M. Alanazi & Javed Iqbal. (2024) Sensing potential of C6N8 for ammonia (NH3) and nitrogen triflouride (NF3): A DFT study. Journal of Molecular Graphics and Modelling 127, pages 108701.
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Urmi Khanom, Joyanta K. Saha, Joonkyung Jang & Mahmudur Rahman. (2024) Revealing conducting organic polymers’ interaction with cyanogen halides: DFT insights for enhanced gas sensing applications. Structural Chemistry.
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Md. Mehade Hasan, Shahida Akter Bithe, Budrun Neher & Farid Ahmed. (2022) Polythiophene as a sensor model for chlorofluorocarbon, fluorine, and oxygen gas using DFT calculations. Journal of Molecular Modeling 28:3.
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Ramesh Kheirabadi & Mohammad Vakili. (2021) Computational modeling in enhanced CO2 and C2H2 capture on chalcogen atom (Se, Te)-decorated graphene: structural and mechanistic aspects. Journal of the Iranian Chemical Society 19:2, pages 447-461.
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Hasnain Sajid, Sidra Khan, Khurshid Ayub & Tariq Mahmood. (2020) High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study. Microporous and Mesoporous Materials 299, pages 110126.
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Hasnain Sajid, Faizan Ullah, Khurshid Ayub & Tariq Mahmood. (2020) Cyclic versus straight chain oligofuran as sensor: A detailed DFT study. Journal of Molecular Graphics and Modelling 97, pages 107569.
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Hasnain Sajid, Khurshid Ayub & Tariq Mahmood. (2019)
A comprehensive DFT study on the sensing abilities of cyclic oligothiophenes (
n
CTs)
. New Journal of Chemistry 43:35, pages 14120-14133.
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Mohammad Mehdi Sadeghi, Ali Shokuhi Rad, Mehdi Ardjmand & Ali Mirabi. (2018) Preparation of magnetic nanocomposite based on polyaniline/Fe3O4 towards removal of lead (II) ions from real samples. Synthetic Metals 245, pages 1-9.
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Hasnain Sajid, Tariq Mahmood & Khurshid Ayub. (2018) High sensitivity of polypyrrole sensor for uric acid over urea, acetamide and sulfonamide: A density functional theory study. Synthetic Metals 235, pages 49-60.
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Ali Shokuhi Rad & Aref Chourani. (2017) Nickel Based Paddle-Wheel Metal–Organic Frameworks Towards Adsorption of O3 and SO2 Molecules: Quantum-Chemical Calculations. Journal of Inorganic and Organometallic Polymers and Materials 27:6, pages 1826-1834.
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Hasnain Sajid, Tariq Mahmood & Khurshid Ayub. (2017) An accurate comparative theoretical study of the interaction of furan, pyrrole, and thiophene with various gaseous analytes. Journal of Molecular Modeling 23:10.
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Esmail Vessally, Seyyed Amir Siadati, Akram Hosseinian & Ladan Edjlali. (2017) Selective sensing of ozone and the chemically active gaseous species of the troposphere by using the C20 fullerene and graphene segment. Talanta 162, pages 505-510.
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Ali Shokuhi Rad, Hossein Pazoki, Soheil Mohseni, Daryoush Zareyee & Majid Peyravi. (2016) Surface study of platinum decorated graphene towards adsorption of NH 3 and CH 4. Materials Chemistry and Physics 182, pages 32-38.
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