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Работы, на которые ссылается эта работа

Работ: 68

Работа: DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Статья1996Цитирований: 153
    ABI

  2. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Статья2011Цитирований: 110
    ABI

  3. General atomic and molecular electronic structure system

    Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz +10

    Статья1993Цитирований: 49
    ABI

  4. cclib: A library for package‐independent computational chemistry algorithms

    Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner

    Статья2007Цитирований: 27
    ABI

  5. Detection of phosgene by Sc-doped BN nanotubes: A DFT study

    Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

    Статья2012Цитирований: 10
    ABI

  6. Semiconductor physical electronics

    Slobodan Mijalković

    Статья1997Цитирований: 9
    ABI

  7. The ability of ZnO and MgO nanocages for adsorption and sensing performance of anticancer drug detection

    Mohamed J. Saadh, Ali B.M. Ali, Zahraa A. Hanoon +5

    Статья2025Цитирований: 7
    ABI

  8. B24N24 fullerene as a carrier for 5-fluorouracil anti-cancer drug delivery: DFT studies

    Mehrnoosh Khodam Hazrati, Zahra Javanshir, Zargham Bagheri

    Статья2017Цитирований: 6
    ABI

  9. Designing nanotechnology QCA–multiplexer using majority function-based NAND for quantum computing

    Jun‐Cheol Jeon

    Статья2020Цитирований: 6
    ABI

  10. Applied Surface Science

    Gurrappa Injeti

    Книга2019Цитирований: 5
    ABI

  11. A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries

    John D. Head, Michael C. Zerner

    Статья1985Цитирований: 5
    ABI

  12. DFT and MD investigations on the functionalized boron nitride nanotube as an effective drug delivery carrier for Carmustine anticancer drug

    Azam Mortazavifar, ‪Heidar Raissi, Alireza Akbari

    Статья2018Цитирований: 5
    ABI

  13. Unravelling performance of honeycomb structures as drug delivery systems for the isoniazid drug using DFT-D3 correction dispersion and molecular dynamic simulations

    Masoud Darvish Ganji, Hyunseok Ko, Saeed Jamehbozorgi +5

    Статья2024Цитирований: 5
    ABI

  14. Adsorption of NH3, HCHO, SO2, and Cl2 gasses on the o-B2N2 monolayer for its potential application as a sensor

    Mohamed J. Saadh, Ali Basem, Zahraa A. Hanoon +7

    Статья2024Цитирований: 5
    ABI

  15. Analysis of electronic properties and sensing applications in Graphene/BC3 heterostructures

    Mohamed J. Saadh, Ali B.M. Ali, Hassan A. Kenjrawy +7

    Статья2024Цитирований: 5
    ABI

  16. Density functional study on the adsorption and dissociation of nitroamine over the nanosized tube of MgO

    Maryam Nayebzadeh, Ali Ahmadi Peyghan, Hamed Soleymanabadi

    Статья2014Цитирований: 4
    ABI

  17. Study on pressure-induced band gap modulation and physical properties of direct band gap Ca3NX3 (X = Cl, Br) for optoelectronic and thermoelectric applications

    Maruf Al Yeamin, Asif Hosen, Md. Adil Hossain +6

    Статья2024Цитирований: 4
    ABI

  18. The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets

    Tanja van Mourik, Angela K. Wilson, Kirk A. Peterson +2

    Глава1998Цитирований: 4
    ABI

  19. DFT studies of functionalized carbon nanotubes and fullerenes as nanovectors for drug delivery of antitubercular compounds

    Marco Gallo, Alejandra Favila, Daniel Glossman‐Mitnik

    Статья2007Цитирований: 4
    ABI

  20. Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

    Alexandre Tkatchenko, Matthias Scheffler

    Статья2009Цитирований: 4
    ABI

  21. Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study

    Mahmoud A. A. Ibrahim, Al‐shimaa S. M. Rady, Asmaa M. A. Mandarawe +6

    Статья2022Цитирований: 4
    ABI

  22. Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al12P12) nanocage: A DFT study

    Al‐shimaa S. M. Rady, Nayra A. M. Moussa, Lamiaa A. Mohamed +6

    Статья2023Цитирований: 4
    ABI

  23. Computational and Theoretical Chemistry

    Emily A. Carter, Peter J. Rossky

    Статья2006Цитирований: 3
    ABI

  24. Carbon nanotubes for the delivery of therapeutic molecules

    Alberto Bianco

    Обзорная статья2004Цитирований: 3
    ABI

  25. Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene

    G. Brunetto, P. A. S. Autreto, L. D. Machado +3

    Статья2012Цитирований: 3
    ABI