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61 ta ish

Ish: Density functional theory based analyses of beryllium oxide fullerene assisted adsorptions of ammonia, phosphine, and arsine toxic gases towards sensing and removal prospective applications

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. Sarlavhasiz

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  3. Polarizable continuum model

    Benedetta Mennucci

    Maqola201212 iqtibos
    ABI

  4. 6-31G* basis set for atoms K through Zn

    Vitaly A. Rassolov, John A. Pople, Mark A. Ratner +1

    Maqola19989 iqtibos
    ABI

  5. Stem cells and common biomaterials in dentistry: a review study

    Seyed Ali Mosaddad, Boshra Rasoolzade, Reza Abdollahi Namanloo +2

    Sharh maqolaOchiq kirish20228 iqtibos
    ABI

  6. Quantum Theory of Atoms in Molecules–Dalton Revisited

    R. F. W. Bader, T. T. Nguyen‐Dang

    Bob19818 iqtibos
    ABI

  7. A possible definition of basis set superposition error

    Ernest R. Davidson, Subhas J. Chakravorty

    Maqola19948 iqtibos
    ABI

  8. A novel Pt-free counter electrode based on MoSe2 for cost effective dye-sensitized solar cells (DSSCs): Effect of Ni doping

    Raed H. Althomali, Sulieman Ibraheem Shelash Al‐Hawary, Anita Gehlot +5

    MaqolaTiO2 Photocatalysis and Solar CellsJournal of Physics and Chemistry of Solids20237 iqtibos
    ABI

  9. Sarlavhasiz

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  10. First-principles calculations to investigate structural, electrical, elastic and optical characteristics of BWF3 (W = S and Si) fluoroperovskites

    Nada Alfryyan, Hukam Khan, Mohammad Sohail +8

    MaqolaOchiq kirishPerovskite Materials and ApplicationsResults in Physics20236 iqtibos
    ABI

  11. The drug delivery of methimazole through the sensing function assessments of BeO fullerene-like particles: DFT study

    Mounir M. Salem‐Bekhit, Miao Dai, Mavjuda Rakhmatullaeva +3

    MaqolaOchiq kirishGraphene research and applicationsChemical Physics Impact20235 iqtibos
    ABI

  12. Sensing the formaldehyde pollutant by an enhanced BNC18 fullerene: DFT outlook

    Miao Dai, M. Mirzaei, Farzad Toiserkani +4

    MaqolaOchiq kirish20235 iqtibos
    ABI

  13. Various methods for the synthesis of NiTiO3 and ZnTiO3 nanomaterials and their optical, sensor and photocatalyst potentials: A review

    Raed H. Althomali, Hijran Sanaan Jabbar, Ashwaq Talib Kareem +7

    Sharh maqolaTransition Metal Oxide NanomaterialsInorganic Chemistry Communications20234 iqtibos
    ABI

  14. Beryllium oxide nano-cage as sorbent and sensor for formaldehyde gas: DFT-D3 calculations

    H.M. Badran, Kh.M. Eid, H.O. Al-Nadary +1

    Maqola20234 iqtibos
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  15. Computational study of toxic gas removal

    Zakir Ullah, Fazli Sattar, Hyun Jee Kim +4

    Maqola20224 iqtibos
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  16. Natural bond orbital methods

    Eric D. Glendening, Clark R. Landis, Frank Weinhold

    Maqola20114 iqtibos
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  17. Optimasi Formulasi Esens Sheet Mask Kombinasi Ekstrak Spirulina platensis dan Nanopartikel Bentonit dengan Metode Simplex Lattice Design

    Erindyah Retno Wikantyasning, Ulil Fikri Nurhakimah, Ramadhani Dwi Sula +1

    MaqolaOchiq kirish20193 iqtibos
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  18. A model of FeN-decorated BeO layer particle for CO gas adsorption

    Kosar Zarifi, Farnaz Rezaei, Seyed Mehdi Alizadeh

    Maqola20213 iqtibos
    ABI

  19. Density functional theory investigation of ozone gas uptake by a BeO nanoflake

    Saade Abdalkareem Jasim, Ghulam Yasin, Mohammad Javed Ansari +1

    Maqola20223 iqtibos
    ABI

  20. Electrochemically active XWO4 (X = Co, Cu, Mn, Zn) nanostructure for water splitting applications

    B. Jansi Rani, G. Ravi, S. Ravichandran +4

    Maqola20183 iqtibos
    ABI

  21. Acetone adsorption to (BeO)12, (MgO)12 and (ZnO)12 nanoparticles and their graphene composites: A density functional theory (DFT) study

    Yamian Mo, H. B. Li, Ke Zhou +4

    Maqola20183 iqtibos
    ABI

  22. Investigations on TiO2–NiO@In2O3 nanocomposite thin films (NCTFs) for gas sensing: synthesis, physical characterization, and detection of NO2 and H2S gas sensors

    Mohamed Abed Shahoodh Alborisha, Foued Tarek Ibrahim, W. Jilani +2

    Maqola20242 iqtibos
    ABI

  23. The effect of Stone–Wales defect on the sensitivity of a ZnO monolayer in detection of PH3 and AsH3 gases: a DFT study

    Mustafa M. Kadhim, Sallal A.H. Abdullaha, Taleeb Zedan Taban +3

    Maqola20232 iqtibos
    ABI

  24. Insight into the reasons for enhanced NH3-SCR activity and SO2 tolerance of Mn-Co layered oxides

    Xiangbo Feng, Jian-Ru Zhu, Kunli Song +7

    Maqola20242 iqtibos
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  25. Sarlavhasiz

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