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Journal of Sulfur Chemistry Volume 38, 2017 - Issue 4
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A computational study of adsorption H2S gas on the surface of the pristine, Al&P-doped armchair and zigzag BNNTs

Mahdi Rezaei-SametiDepartment of Applied Chemistry, Faculty of Science, Malayer University, Malayer, IranCorrespondence[email protected]
[email protected]
&
Fatemeh ZanganehDepartment of Applied Chemistry, Faculty of Science, Malayer University, Malayer, Iran
Pages 384-400 | Received 21 Oct 2016, Accepted 27 Mar 2017, Published online: 12 Apr 2017

Citations (12)

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Read on this site (4)

Mahdi Rezaei-Sameti & Zohre Iraji Borojeni. (2023) Interaction of 5-fluorouracil anticancer drug with nucleobases: insight from DFT, TD-DFT, and AIM calculations. Journal of Biomolecular Structure and Dynamics 41:12, pages 5882-5893.
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Nontawat Ploysongsri & Vithaya Ruangpornvisuti. (2021) Adsorption of sulfur-containing gases on B36 nanocluster: a DFT study. Journal of Sulfur Chemistry 42:4, pages 383-396.
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Mahdi Rezaei-Sameti & Mahdi Rakhshi. (2021) Density functional theory study on the adsorption of CO on X= (Mn and Tc)-doped graphene sheets in the presence and absence of static electric fields. Molecular Physics 119:5.
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M. Rezaei–Sameti & M. Nourian. (2021) Interaction of hydrogen sulfide with the pristine and B&N-doped beryllium oxide nanotube: DFT study. Journal of Sulfur Chemistry 42:1, pages 51-66.
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Articles from other publishers (8)

Anjan Kumar, Michael M. Sabugaa, Nestor Ulloa, Mónica Moreno, S. Kevin Vargas-Portugal, Farzad Molani, Abdelmajeed Adam Lagum & Mustafa M. Kadhim. (2023) The impact of Si and Cu doping upon the sensing capability of BN nano-tube in detecting diazomethane. Solid State Communications 371, pages 115231.
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M. Rezaei-Sameti & A. Rezaei. (2023) A computational assessment of the interaction of 5Fluorouracil (5FU) drug connected to B12P12 and ScB11P12 nanocages with adenine nucleobase: DFT, AIM, TD-DFT study. Structural Chemistry.
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Anshul Yadav. (2022) Insights on the enhanced hydrogen sulfide sensing using X (X = Cr, Ni, Al, C, Si, O, S) doped boron nitride nanotubes. Computational and Theoretical Chemistry, pages 114005.
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Aziz Habibi-Yangjeh, Hadi Basharnavaz, Seyed Hossein Kamali & Ali Nematollahzadeh. (2021) A first-principles investigation of PH3 gas adsorption on the graphitic carbon nitride sheets modified with V/P, Nb/P, and Ta/P elements. Materials Chemistry and Physics 269, pages 124282.
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Aziz Habibi-Yangjeh & Hadi Basharnavaz. (2021) Novel high-performance H2Se sensor based on Zn/P-, Cd/P-, and Hg/P-modified graphitic carbon nitride sheets: A DFT study. Journal of the Iranian Chemical Society 18:9, pages 2447-2455.
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Rezvan Alvand & M. Rezaei-Sameti. (2020) The H+ ions and static electric field effects on the adsorption and detection of cyanogen fluoride on the surface of boron nitride nanocage: a DFT, TD-DFT study. Adsorption 27:1, pages 91-104.
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Gholamhassan Imanzadeh, Hadi Basharnavaz, Aziz Habibi-Yangjeh & Seyed Hossein Kamali. (2020) Adsorption behavior of H2S on P‒doped, V/P, Nb/P, and Ta/P‒codoped graphitic carbon nitride: A first-principles investigation. Materials Chemistry and Physics 252, pages 123117.
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Mahdi Rezaei-Sameti & Elham Shiravand. (2019) The thermodynamic, quantum, AIM and NBO study of the interaction of pyrazinamide drug with the pristine and transition metal-doped B12P12. Adsorption 26:6, pages 955-970.
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