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50 ta ish

Ish: Synergistic Effects of Al-Doping on Chlorofluorocarbon Adsorption and Sensing Characteristics of B2N2 Nanosheets

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    MaqolaOchiq kirish1988107 iqtibos
    ABI

  3. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199691 iqtibos
    ABI

  4. Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives

    Frank Weinhold

    Maqola201211 iqtibos
    ABI

  5. Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis

    Anastasia V. Shishkina, Vladimir Zhurov, A.I. Stash +3

    Maqola20139 iqtibos
    ABI

  6. Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning

    Eric M. Collins, Krishnan Raghavachari

    Maqola20208 iqtibos
    ABI

  7. Computational Studies of Poly(vinylidene fluoride)—Single Wall Carbon Nanotube Systems

    Martin Bohlén, Kavitha Chelakara Satyanarayana, Kim Bolton

    Maqola20138 iqtibos
    ABI

  8. Electron/Hole Mobilities of Periodic DNA and Nucleobase Structures from Large-Scale DFT Calculations

    Hyuna Kwon, Anshuman Kumar, Mauro Del Ben +1

    Maqola20237 iqtibos
    ABI

  9. A machine learning scheme for the catalytic activity of alloys with intrinsic descriptors

    Ze Yang, Wang Gao, Qing Jiang

    Maqola20206 iqtibos
    ABI

  10. Synthesis and structural characterization of nano‐sized metal complexes of 3‐(1‐methyl‐4‐hydroxy‐2‐oxo‐1,2‐dihydroquinolin‐3‐yl)‐2‐nitro‐3‐oxopropanoic acid. XRD, thermal, 3D modeling, and antitumor activity studies

    Mosad A. El‐ghamry, Hoda F. El‐Shafiy

    Maqola20216 iqtibos
    ABI

  11. Fermi level induced band edge alignment and band bending in Ag3PO4/Cu2O p-n heterojunction for proficient photocatalytic applications

    Souman Pahi, Bikash Mahapatra, Abhijit Behera +2

    Maqola20236 iqtibos
    ABI

  12. Theoretical study of the interaction of trimethylamine with aluminium nitride nanotube and gallium-doped aluminium nitride nanotube

    Mohsen Doust Mohammadi, Hitler Louis, Hadi Afaridoon +1

    Maqola20235 iqtibos
    ABI

  13. Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight

    Mohammad Khajavian, Sadegh Kaviani, Irina Piyanzina +3

    Maqola20245 iqtibos
    ABI

  14. The potential of increasing man-made air pollution to reduce rainfall over southern West Africa

    Gregor Pante, Peter Knippertz, Andreas H. Fink +1

    Maqola20214 iqtibos
    ABI

  15. The use of global and local reactivity descriptors of conceptual DFT to describe toxicity of benzoic acid derivatives

    Cinthia Ramírez-Martínez, Luis Ángel Zárate-Hernández, Rosa L. Camacho-Mendoza +3

    Maqola20234 iqtibos
    ABI

  16. Diversely substituted poly(N-vinyl amide) derivatives towards non-toxic, stealth and pH-responsive lipid nanocapsules

    François Toussaint, Élise Lepeltier, Florence Franconi +4

    Maqola20244 iqtibos
    ABI

  17. The impact of outdoor pollution and extreme temperatures on asthma‐related outcomes: A systematic review for the EAACI guidelines on environmental science for allergic diseases and asthma

    Ioana Agache, Carlos Canelo‐Aybar, Isabella Annesi‐Maesano +32

    Sharh maqola20244 iqtibos
    ABI

  18. DFT modeling of new composite based on PANI/PVK functionalized With single-walled carbon nanotubes for optoelectronic applications

    Beddiaf Zaidi

    Maqola20244 iqtibos
    ABI

  19. Assessing the health burden from air pollution

    Torben Sigsgaard, Barbara Hoffmann

    Maqola20244 iqtibos
    ABI

  20. Air pollution and skin diseases: A comprehensive evaluation of the associated mechanism

    Xiaoyu Gu, Zhengrui Li, Juan Su

    Maqola20244 iqtibos
    ABI

  21. Advances in nanotechnology-based approaches for the treatment of head and neck squamous cell carcinoma

    Bicai Tang, Rui Huang, MA Wen-juan

    Sharh maqola20244 iqtibos
    ABI

  22. Multi-band simultaneous fits of transport data on p-type ScNiSb with including impurity conduction

    Yasutomo Kajikawa

    Maqola20224 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa4 iqtibos
    ABI

  24. Nanotechnology and medicine

    Dwaine F. Emerich, Christopher G. Thanos

    Sharh maqola20033 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa3 iqtibos
    ABI