Ushbu ish iqtibos qilgan ishlar

49 ta ish

Ish: Exploring fullerene−like cages for methamphetamine sensing and adsorption: C24 as a sensor candidate vs. B12N12 and Be12O12 as strong adsorbents

1. Multiwfn: A multifunctional wavefunction analyzer

   Tian Lu, Feiwu Chen

   Maqola2011135 iqtibos

   ABIABI:AkademIndex/2026.other.016950

2. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

   Stefan Grimme, Jens Antony, Stephan Ehrlich +1

   Maqola201076 iqtibos

   ABIABI:AkademIndex/2026.other.024826

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

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

   Maqola200732 iqtibos

   ABIABI:AkademIndex/2026.other.031064

4. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

   Samuel Francis Boys, Fernando Bernardi

   Maqola197030 iqtibos

   ABIABI:AkademIndex/2026.other.141348

5. Atoms in molecules

   R. F. W. Bader

   Maqola198517 iqtibos

   ABIABI:AkademIndex/2026.other.016973

6. A quantum theory of molecular structure and its applications

   Richard F. W. Bader

   Sharh maqola199111 iqtibos

   ABIABI:AkademIndex/2026.other.211517

7. Pd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method

   Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1

   Maqola20188 iqtibos

   ABIABI:AkademIndex/2026.other.150614

8. Computational study of the therapeutic properties of allicin and its nanocomplexes using DFT and molecular docking techniques

   E S Mozafari, Mohammad T. Baei, E. Tazikeh Lemeski

   Maqola20256 iqtibos

   ABIABI:AkademIndex/2026.other.809627

9. Sarlavhasiz

   Boshqa6 iqtibos

   ABIABI:AkademIndex/2026.other.876661

10. Quantum-Chemical Descriptors in QSAR/QSPR Studies

    Mati Karelson, Victor S. Lobanov, Alan R. Katritzky

    Sharh maqola19965 iqtibos

    ABIABI:AkademIndex/2026.other.327580

11. Theoretical and experimental studies on sulfasalazine interactions with poly (lactic acid): Impact of hydrogen bonding and charge transfer interactions on molecular structure, electronic and optical properties

    Azam Naderi Safa, Ali Sheibani, Mohammad T. Baei +2

    Maqola20235 iqtibos

    ABIABI:AkademIndex/2026.other.827913

12. DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene

    Md. Rakib Hossain, Md. Mehade Hasan, Maliha Nishat +4

    Maqola20204 iqtibos

    ABIABI:AkademIndex/2026.other.241293

13. Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study

    Yan Cao, Afrasyab Khan, Hanzaleh Balakheyli +9

    Maqola20214 iqtibos

    ABIABI:AkademIndex/2026.other.723334

14. Richardson-Dushman Equation Monograph

    Arthur L. Smith, R. Breitwieser

    Maqola19703 iqtibos

    ABIABI:AkademIndex/2026.other.320537

15. Density functional theory study of Cu-doped BNNT as highly sensitive and selective gas sensor for carbon monoxide

    Guohong Fan, Xiaohua Wang, Xianxian Tu +3

    Maqola20203 iqtibos

    ABIABI:AkademIndex/2026.other.320568

16. Transition metal-functionalized hexagonal bipyramidal boron clusters as high-performance electrocatalysts for hydrogen evolution reaction: A DFT study

    Chou‐Yi Hsu, Ali B.M. Ali, Zainab H. Jamal +7

    MaqolaElectrocatalysts for Energy ConversionInternational Journal of Hydrogen Energy20253 iqtibos

    ABIABI:AkademIndex/2026.other.321562

17. Synergistic SrFe12O19-Bi2MoO6/ZIF-67-derived carbon-doped oxide nanocomposites for H2O2 production and visible-light photocatalytic degradation of norfloxacin via enhanced ROS generation

    Tawfik Guesmi, Ali Basem, Dheyaa J. Jasim +7

    MaqolaAdvanced Photocatalysis TechniquesSurfaces and Interfaces20262 iqtibos

    ABIABI:AkademIndex/2026.article.020793

18. Sustainable synthesis of a novel metal organic framework-based Fe2O3/UiO-66/reduced graphene oxide composite for high-performance supercapacitors with enhanced energy–power balance and cycling stability

    Ismail Marouani, Ali Alkhafaji, Dheyaa J. Jasim +7

    Maqola20262 iqtibos

    ABIABI:AkademIndex/2026.article.038565

19. Sarlavhasiz

    BoshqaOAOchiq kirish2 iqtibos

    ABIABI:AkademIndex/2026.other.074297

20. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.1089410

21. Sarlavhasiz

    BoshqaOAOchiq kirish2 iqtibos

    ABIABI:AkademIndex/2026.other.1089515

22. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.241256

23. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.502246

24. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.760776

25. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.868573