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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

    Maqola2011110 iqtibos
    ABI

  2. Sarlavhasiz

    Boshqa12 iqtibos
    ABI

  3. 6-31G* basis set for atoms K through Zn

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

    Maqola19989 iqtibos
    ABI

  4. Polarizable continuum model

    Benedetta Mennucci

    Maqola20129 iqtibos
    ABI

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

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

    Sharh maqola20228 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. Sarlavhasiz

    Boshqa7 iqtibos
    ABI

  9. 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 Solids20236 iqtibos
    ABI

  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

    MaqolaPerovskite 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

    MaqolaGraphene 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

    Maqola20235 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
    ABI

  15. Computational study of toxic gas removal

    Zakir Ullah, Fazli Sattar, Hyun Jee Kim +4

    Maqola20224 iqtibos
    ABI

  16. Natural bond orbital methods

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

    Maqola20114 iqtibos
    ABI

  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

    Maqola20193 iqtibos
    ABI

  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. 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

  22. 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

  23. 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
    ABI

  24. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  25. RETRACTED: Modeling of adsorptive removal of azithromycin from aquatic media by CoFe2O4/NiO anchored microalgae-derived nitrogen-doped porous activated carbon adsorbent and colorimetric quantifying of azithromycin in pharmaceutical products

    Fuád Ameén, Reza Mostafazadeh, Yasamin Hamidian +4

    Maqola20232 iqtibos
    ABI