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70 ta ish

Ish: Corrosion protection performance of eco-friendly inhibitor for zinc metal surface: Computational modeling

  1. 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

  2. General atomic and molecular electronic structure system

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

    Maqola199357 iqtibos
    ABI

  3. Density-functional exchange-energy approximation with correct asymptotic behavior

    Axel D. Becke

    Maqola198829 iqtibos
    ABI

  4. Recent developments in sustainable corrosion inhibitors: design, performance and industrial scale applications

    Chandrabhan Verma, Eno E. Ebenso, M. A. Quraishi +1

    MaqolaOchiq kirish202119 iqtibos
    ABI

  5. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

    Timo Koopmans

    Maqola193418 iqtibos
    ABI

  6. Papaya leaves extract as a novel eco-friendly corrosion inhibitor for Cu in H2SO4 medium

    Bochuan Tan, Bin Xiang, Shengtao Zhang +4

    Maqola202014 iqtibos
    ABI

  7. Electrophilicity Index

    Robert G. Parr, László von Szentpály, Shubin Liu

    Maqola199912 iqtibos
    ABI

  8. Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

    Lei Guo, I.B. Obot, Xingwen Zheng +4

    Maqola201711 iqtibos
    ABI

  9. Corrosion inhibitors: physisorbed or chemisorbed?

    Anton Kokalj

    MaqolaOchiq kirish202110 iqtibos
    ABI

  10. Natural population analysis

    Alan E. Reed, Robert B. Weinstock, Frank Weinhold

    Maqola198510 iqtibos
    ABI

  11. Molecular modelling of compounds used for corrosion inhibition studies: a review

    Eno E. Ebenso, Chandrabhan Verma, Lukman O. Olasunkanmi +6

    Sharh maqola20217 iqtibos
    ABI

  12. A Combined Experimental and Computational (DFT, RDF, MC and MD) Investigation of Epoxy Resin as a Potential Corrosion Inhibitor for Mild Steel in a 0.5 M H2SO4 Environment

    Rachid Hsissou, Khadija Dahmani, Anouar El Magri +6

    MaqolaOchiq kirish20236 iqtibos
    ABI

  13. Green synthesis, electrochemical, and DFT studies on the corrosion inhibition of steel by some novel triazole Schiff base derivatives in hydrochloric acid solution

    Moataz M. Abdelsalam, Mahmoud A. Bedair, Mohd Ali Hassan +6

    MaqolaOchiq kirish20215 iqtibos
    ABI

  14. Carissa macrocarpa extract (ECM) as a new efficient and ecologically friendly corrosion inhibitor for copper in nitric acid: Experimental and theoretical approach

    Abdallah El-Asri, M. M. Rguiti, Aaziz Jmiai +4

    Maqola20225 iqtibos
    ABI

  15. On the HSAB based estimate of charge transfer between adsorbates and metal surfaces

    Anton Kokalj

    Maqola20114 iqtibos
    ABI

  16. Sarlavhasiz

    Boshqa4 iqtibos
    ABI

  17. Gallium regulated MnO2 toward high performance Zn ion batteries

    Lin Gao, Hao Hu, Chuankun Zhang +1

    Maqola20234 iqtibos
    ABI

  18. Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion

    I.B. Obot, Savaş Kaya, Cemal Kaya +1

    Maqola20163 iqtibos
    ABI

  19. Quantum Chemical Study of the Inhibitive Properties of 2-Pyridyl-Azoles

    Badhin Gómez, Natalya V. Likhanova, M.A. Domínguez-Aguilar +3

    Maqola20063 iqtibos
    ABI

  20. Theoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors

    I.B. Obot, N.O. Obi-Egbedi

    Maqola20093 iqtibos
    ABI

  21. Innovating high-performance aqueous sodium-ion batteries with ice-resistant inorganic electrolytes for -40 °C applications

    Gengzheng liu, Huilian Hao, Zefei Guo +2

    Maqola20253 iqtibos
    ABI

  22. Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.

    W Yang, Robert G. Parr

    Maqola19853 iqtibos
    ABI

  23. Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

    Benedetta Mennucci, J. Tomasi, Roberto Cammi +5

    Maqola20023 iqtibos
    ABI

  24. An overview of computational and theoretical studies on analyzing adsorption performance of phytochemicals as metal corrosion inhibitors

    Saddick Donkor, Zijian Song, Linhua Jiang +1

    Maqola20223 iqtibos
    ABI

  25. 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
    ABI