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72 ta ish

Ish: An enhanced adsorption of paracetamol drug using the iron-encapsulated boron carbide nanocage: DFT outlook

  1. A novel model of a hydrogen production in micro reactor: Conversion reaction of methane with water vapor and catalytic

    Sherzod Abdullaev, Nusratilla Rajabovich Barakayev, Barno Abdullaeva +1

    MaqolaOchiq kirishCatalytic Processes in Materials ScienceInternational Journal of Thermofluids202313 iqtibos
    ABI

  2. Polarizable continuum model

    Benedetta Mennucci

    Maqola201212 iqtibos
    ABI

  3. 6‐31G* basis set for third‐row atoms

    Vitaly A. Rassolov, Mark A. Ratner, John A. Pople +2

    Maqola20019 iqtibos
    ABI

  4. Quantum Theory of Atoms in Molecules–Dalton Revisited

    R. F. W. Bader, T. T. Nguyen‐Dang

    Bob19818 iqtibos
    ABI

  5. A possible definition of basis set superposition error

    Ernest R. Davidson, Subhas J. Chakravorty

    Maqola19948 iqtibos
    ABI

  6. Sarlavhasiz

    Boshqa7 iqtibos
    ABI

  7. 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

  8. 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

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

    Miao Dai, M. Mirzaei, Farzad Toiserkani +4

    MaqolaOchiq kirish20235 iqtibos
    ABI

  10. Self‐Assembled Fullerene Nanostructures: Synthesis and Applications

    Arun V. Baskar, Mercy R. Benzigar, Siddulu Naidu Talapaneni +7

    Maqola20215 iqtibos
    ABI

  11. 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

  12. Assessing BeO, MgO, and CaO nanocages for a facile detection of hazardous phosgene oxime along with DFT calculations

    Mohamed J. Saadh, M. Mirzaei, Sherzod Abdullaev +4

    MaqolaThermal and Kinetic AnalysisColloids and Surfaces A Physicochemical and Engineering Aspects20234 iqtibos
    ABI

  13. A Review of Current In Silico Methods for Repositioning Drugs and Chemical Compounds

    Binsheng He, Fangxing Hou, Changjing Ren +2

    Sharh maqola20214 iqtibos
    ABI

  14. Sarlavhasiz

    Boshqa4 iqtibos
    ABI

  15. In silico xanthine oxidase inhibitory activities of alkaloids isolated from Alphonsea sp.

    M. Nur Sidik, Yuhanis Mhd Bakri, Saripah Salbiah Syed Abdul Azziz +3

    Maqola20224 iqtibos
    ABI

  16. Adsorption — from theory to practice

    A. Dąbrowski

    Sharh maqola20013 iqtibos
    ABI

  17. Engineering nano-drug biointerface to overcome biological barriers toward precision drug delivery

    Saquib Waheed, Zhibin Li, Fangyingnan Zhang +3

    Sharh maqolaOchiq kirish20223 iqtibos
    ABI

  18. Nanotechnology in Wastewater Management: A New Paradigm Towards Wastewater Treatment

    Keerti Jain, Anand Singh Patel, Vishwas P. Pardhi +1

    Sharh maqolaOchiq kirish20213 iqtibos
    ABI

  19. Water treatment: functional nanomaterials and applications from adsorption to photodegradation

    Karim Khanmohammadi Chenab, Beheshteh Sohrabi, Amir Jafari +1

    Maqola20203 iqtibos
    ABI

  20. Assessment of behavioral changes and antitumor effects of silver nanoparticles synthesized using diosgenin in mice model

    Uma Maheshwari Rajadurai, Abirami Hariharan, Siva Durairaj +6

    Maqola20213 iqtibos
    ABI

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

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

    Maqola20183 iqtibos
    ABI

  22. Tissue resident memory T cells are enriched and dysfunctional in effusion of patients with malignant tumor

    Xueying Mao, Yue Chen, Xiulian Lu +7

    MaqolaOchiq kirish20232 iqtibos
    ABI

  23. Predicting adsorption behavior and anti-inflammatory activity of naproxen interacting with pure boron nitride and boron phosphide fullerene-like cages

    Yan Cao, Afrasyab Khan, Fatemeh Ghorbani +8

    Maqola20212 iqtibos
    ABI

  24. Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase

    Stefan Grimme, Marc Steinmetz

    Maqola20132 iqtibos
    ABI

  25. Boron carbide nanoclusters as H2 and N2 gases nanosensors: theoretical investigation

    Fatemeh Fallahpour, Sara Soleimani Gorgani, Milad Nouraliei

    Maqola20162 iqtibos
    ABI