Asosiy kontentga oʻtish
AkademIndex

Mahsulotlar

Ishlab chiquvchilar uchun

AkademBasetez oradaEkotizim uchun ochiq API
Lotin
← Ishga qaytish

Ushbu ish iqtibos qilgan ishlar

68 ta ish

Ish: 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

    Maqola1996153 iqtibos
    ABI

  2. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011110 iqtibos
    ABI

  3. General atomic and molecular electronic structure system

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

    Maqola199349 iqtibos
    ABI

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

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

    Maqola200727 iqtibos
    ABI

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

    Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

    Maqola201210 iqtibos
    ABI

  6. Semiconductor physical electronics

    Slobodan Mijalković

    Maqola19979 iqtibos
    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

    Maqola20257 iqtibos
    ABI

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

    Mehrnoosh Khodam Hazrati, Zahra Javanshir, Zargham Bagheri

    Maqola20176 iqtibos
    ABI

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

    Jun‐Cheol Jeon

    Maqola20206 iqtibos
    ABI

  10. Applied Surface Science

    Gurrappa Injeti

    Kitob20195 iqtibos
    ABI

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

    John D. Head, Michael C. Zerner

    Maqola19855 iqtibos
    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

    Maqola20185 iqtibos
    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

    Maqola20245 iqtibos
    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

    Maqola20245 iqtibos
    ABI

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

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

    Maqola20245 iqtibos
    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

    Maqola20144 iqtibos
    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

    Maqola20244 iqtibos
    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

    Bob19984 iqtibos
    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

    Maqola20074 iqtibos
    ABI

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

    Alexandre Tkatchenko, Matthias Scheffler

    Maqola20094 iqtibos
    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

    Maqola20224 iqtibos
    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

    Maqola20234 iqtibos
    ABI

  23. Computational and Theoretical Chemistry

    Emily A. Carter, Peter J. Rossky

    Maqola20063 iqtibos
    ABI

  24. Carbon nanotubes for the delivery of therapeutic molecules

    Alberto Bianco

    Sharh maqola20043 iqtibos
    ABI

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

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

    Maqola20123 iqtibos
    ABI