Chalcogen–Chalcogen Interactions in Furan-YHX and Thiophene-YHX Complexes (X = F, Cl, Br; Y = S, Se): An Ab Initio Study von Esrafili, Mehdi D, Saeidi, Nasibeh, Baneshi, Mohammad Mehdi

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Boron-embedded C3N nanosheets as efficient electrocatalysts for reduction of nitric oxide von Saeidi, Nasibeh, Esrafili, Mehdi D.

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Si-doped graphene: A promising metal-free catalyst for oxidation of SO2 von Esrafili, Mehdi D., Saeidi, Nasibeh, Nematollahi, Parisa

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NO electrochemical reduction over Si-N-4 embedded graphene: A DFT investigation von Saeidi, Nasibeh, Esrafili, Mehdi D., Sardroodi, Jaber Jahanbin

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Catalytic reduction of NO by CO molecules over Ni-doped graphene: a DFT investigation von Esrafili, Mehdi D., Saeidi, Nasibeh

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Sn-embedded graphene: An active catalyst for CO oxidation to CO2? von Esrafili, Mehdi D., Saeidi, Nasibeh

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Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study von Esrafili, Mehdi D., Saeidi, Nasibeh

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Carbon-doped boron nitride nanosheet as a promising catalyst for N2O reduction by CO or SO2 molecule: A comparative DFT study von Esrafili, Mehdi D., Saeidi, Nasibeh

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A catalyst-free achieving of N-doped carbon nanotubes: The healing of single-vacancy defects by NO molecule von Esrafili, Mehdi D., Saeidi, Nasibeh

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A DFT study on SO3 capture and activation over Si- or Al-doped graphene von Esrafili, Mehdi D., Saeidi, Nasibeh, Nematollahi, Parisa

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DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes von Esrafili, Mehdi D., Saeidi, Nasibeh

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A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules von Esrafili, Mehdi D., Saeidi, Nasibeh, Dinparast, Leila

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N2O+SO2 reaction over Si- and C-doped boron nitride nanotubes: A comparative DFT study von Esrafili, Mehdi D., Saeidi, Nasibeh

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Catalytic reduction of NO by CO molecules over Ni-doped graphene: a DFT investigationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7nj02436c von Esrafili, Mehdi D, Saeidi, Nasibeh

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NO electrochemical reduction over Si-N4 embedded graphene: A DFT investigation von Saeidi, Nasibeh, Esrafili, Mehdi D., Sardroodi, Jaber Jahanbin

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Electrochemical reduction of NO catalyzed by boron-doped C 60 fullerene: a first-principles study von Saeidi, Nasibeh, Esrafili, Mehdi D, Jahanbin Sardroodi, Jaber

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Epoxidation of ethylene over Pt-, Pd- and Ni-doped graphene in the presence of N2O as an oxidant: a comparative DFT studyElectronic supplementary information (ESI) available. See D... von Esrafili, Mehdi D, Saeidi, Nasibeh, Dinparast, Leila

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The healing of B- or N-vacancy defective BNNTs by using CO molecule: a DFT study von Esrafili, Mehdi D., Saeidi, Nasibeh, Nematollahi, Parisa

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A DFT study on the healing of N‐vacancy defects in boron nitride nanosheets and nanotubes by a methylene molecule von Esrafili, Mehdi D., Saeidi, Nasibeh

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Electrochemical reduction of NO catalyzed by boron-doped C60 fullerene: a first-principles study von Saeidi, Nasibeh, Esrafili, Mehdi D, Jaber Jahanbin Sardroodi

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