Search Results - "Doust Mohammadi, Mohsen" :: K.UTB vyhledávací portál

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Adsorption of 1-chloro-1,2,2,2-tetrafluoroethane on pristine, Al, Ga-doped boron nitride nanotubes: a study involving PBC-DFT, NBO analysis, and QTAIM

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y
Published in Canadian journal of chemistry (2021)

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Ab initio investigation for the adsorption of acrolein onto the surface of C60, C59Si, and C59Ge: NBO, QTAIM, and NCI analyses

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y.
Published in Structural chemistry (01.04.2022)

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The adsorption of chlorofluoromethane on pristine, and Al- and Ga-doped boron nitride nanosheets: a DFT, NBO, and QTAIM study

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y.
Published in Journal of molecular modeling (01.10.2020)

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Electronic properties and collision cross sections of AgOkHm± (k, m = 1–4) aerosol ionic clusters

by Mohsen Doust Mohammadi, Bhowmick, Somnath, Maisser, Anne, Schmidt-Ott, Andreas, Biskos, George
Published in Physical chemistry chemical physics : PCCP (22.05.2024)

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Experimental Measurements of Densities and Viscosities of Binary and Ternary Mixtures of Benzene, Cyclohexane, and N,N-Dimethylacetamide at 298.15 K and 87 kPa

by Doust Mohammadi, Mohsen, Hamzehloo, Majid
Published in Journal of solution chemistry (01.07.2022)

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Increasing the Photovoltaic Power of the Organic Solar Cells by Structural Modification of the R-P2F-Based Materials

by Doust Mohammadi, Mohsen, Abbas, Faheem, Arshad, Muhammad, Shafiq, Faiza, Louis, Hitler, Unimuke, Tomsmith O., Rasaki, Michael E.
Published in Journal of molecular modeling (01.08.2023)

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Vinyl chloride adsorption onto the surface of pristine, Al-, and Ga-doped boron nitride nanotube: A DFT study

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y.
Published in Solid state communications (01.10.2021)

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Interaction of 5‑Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT

by Ogunwale, Goodness J., Louis, Hitler, Unimuke, Tomsmith O., Mathias, Gideon E., Owen, Aniekan E., Edet, Henry O., Enudi, Obieze C., Oluwasanmi, Esther O., Adeyinka, Adedapo S., Doust Mohammadi, Mohsen
Published in ACS omega (18.04.2023)

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The adsorption of bromomethane onto the exterior surface of aluminum nitride, boron nitride, carbon, and silicon carbide nanotubes: A PBC-DFT, NBO, and QTAIM study

by Doust Mohammadi, Mohsen, Hamzehloo, Majid
Published in Computational and theoretical chemistry (15.11.2018)

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The adsorption of bromochlorodifluoromethane on pristine, Al, Ga, P, and As-doped boron nitride nanotubes: A study involving PBC-DFT, NBO analysis, and QTAIM

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y.
Published in Computational and theoretical chemistry (01.01.2021)

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2D boron nitride material as a sensor for H2SiCl2

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y., Louis, Hitler, Mathias, Gideon E.
Published in Computational and theoretical chemistry (01.07.2022)

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Interaction of Fluorouracil drug with boron nitride nanotube, Al doped boron nitride nanotube and BC2N nanotube

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y., Kalamse, Vijayanand, Chaudhari, Ajay
Published in Computational and theoretical chemistry (01.06.2022)

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The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y.
Published in Structural chemistry (01.02.2021)

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Theoretical investigation of intermolecular interactions between CNT, SiCNT and SiCGeNT nanomaterials with vinyl chloride molecule: A DFT, NBO, NCI, and QTAIM study

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y., Qadir, Karwan W., Suvitha, A.
Published in Diamond and related materials (01.01.2023)

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Weak intermolecular interactions of cysteine on BNNT, BNAlNT and BC2NNT: a DFT investigation

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y
Published in Bulletin of materials science (01.03.2022)

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Adsorbing CNCl on pristine, C-, and Al-doped boron nitride nanotubes: A density functional theory study

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y., Biskos, George, Bhowmick, Somnath
Published in Computational and theoretical chemistry (01.02.2023)

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A comprehensive investigation of the intermolecular interactions between CH2N2 and X12Y12 (X = B, Al, Ga; Y = N, P, As) nanocages

by Mohammadi, Mohsen Doust, Abdullah, Hewa Y, Bhowmick, Somnath, Biskos, George
Published in Canadian journal of chemistry (2021)

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Bromochlorodifluoromethane interaction with pristine and doped BN nanosheets: A DFT study

by Doust Mohammadi, Mohsen, Abdullah, Hewa Y., Kalamse, Vijayanand, Chaudhari, Ajay
Published in Journal of environmental chemical engineering (01.10.2022)

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