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84 ta ish

Ish: Computational insights into the corrosion inhibition mechanism of hyoscyamine and zonisamide on mild steel: A combined DFT, MD, and NCI analysis

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199691 iqtibos
    ABI

  3. Surface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation

    Valentine Chikaodili Anadebe, F. E. Abeng, Abhinay Thakur +4

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsComputational and Theoretical Chemistry202413 iqtibos
    ABI

  4. Plant Extracts as Green Corrosion Inhibitors for Different Metal Surfaces and Corrosive Media: A Review

    Alan Miralrio, Araceli Espinoza-Vázquez

    Sharh maqolaOchiq kirish202011 iqtibos
    ABI

  5. Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

    I.B. Obot, Digby D. Macdonald, Zuhair M. Gasem

    Maqola20159 iqtibos
    ABI

  6. Molecular insights into the corrosion inhibition mechanism of omeprazole and tinidazole: a theoretical investigation

    Savaş Kaya, Hassane Lgaz, Abhinay Thakkur +4

    Maqola20237 iqtibos
    ABI

  7. Synthesis, Electrochemical, Morphological, Computational and Corrosion Inhibition Studies of 3-(5-Naphthalen-2-yl-[1,3,4]oxadiazol-2-yl)-pyridine against Mild Steel in 1 M HCl

    Deepak Sharma, Abhinay Thakur, Manish Kumar Sharma +4

    Maqola20237 iqtibos
    ABI

  8. Examination of the main chemical components of essential oil of Syzygium aromaticum as a corrosion inhibitor on the mild steel in 0.5 M HCl medium

    Anissa Acidi, Amel Sedik, Aicha Rizi +10

    Maqola20235 iqtibos
    ABI

  9. A convenient synthesis, electrochemical profiling, and morphological studies of a pyridine-based 1,3,4-oxadiazole hybrid: A promising study for corrosion mitigation of mild steel in strongly acidic environment

    P.L. Sharma, Abhinay Thakur, Manish Kumar Sharma +8

    Maqola20235 iqtibos
    ABI

  10. Okra leaves extract as green corrosion inhibitor for steel in sulfuric acid: Gravimetric, electrochemical, and surface morphological investigations

    Shaymaa Abbood Hussein, Anees A. Khadom

    Maqola20245 iqtibos
    ABI

  11. Physisorption or chemisorption: Insight from AI computing model based on DFT, MC/MD-simulation for prediction of MOF-based inhibitor adsorption on Cu in brine solution

    Nkechinyere Amaka Chikaodili, Cyril Sunday Ume, Patrick Chukwudi Nnaji +6

    Maqola20245 iqtibos
    ABI

  12. Herbal expired drug bearing glycosides and polysaccharides moieties as green and cost-effective oilfield corrosion inhibitor: Electrochemical and computational studies

    Khaled Zakaria, Mohamed Abbas, Mahmoud A. Bedair

    Maqola20224 iqtibos
    ABI

  13. Experimental and detailed DFT/MD simulation of α-aminophosphonates as promising corrosion inhibitor for XC48 carbon steel in HCl environment

    Ouahiba Moumeni, Mouna Mehri, Rachida Kerkour +9

    Maqola20234 iqtibos
    ABI

  14. Pharmaceuticals for materials protection: Experimental and computational studies of expired closantel drug (C22H14Cl2I2N2O2) as a potent corrosion inhibitor

    Mohsen Saket Bejandi, Mohammad Hossein Behroozi, Mohammad Khalili +3

    Maqola20234 iqtibos
    ABI

  15. Modified nano-lignin as a novel biomass-derived corrosion inhibitor for enhanced corrosion resistance of carbon steel

    Zhigang Luo, Yi Zhang, Huan Wang +4

    Maqola20234 iqtibos
    ABI

  16. Corrosion Inhibition of Ordinary Steel in 5.0 M HCl Medium by Benzimidazole Derivatives: Electrochemical, UV–Visible Spectrometry, and DFT Calculations

    Omar Fergachi, F. Benhiba, Mohamed Rbaa +6

    Maqola20194 iqtibos
    ABI

  17. Expired terazosin as environmentally safe corrosion inhibitor for 1018 carbon steel in 1 M HCl solution: Experimental and computational studies

    A.F. Shoair, Mariem M. Motawea, Abdulraheem S. A. Almalki +3

    MaqolaOchiq kirish20233 iqtibos
    ABI

  18. Eco-friendly anti-corrosion performance of chitosan modified with fused heterocyclic compound on mild steel in acidic medium

    Sherief A. Al Kiey, Reham A. Mohamed‐Ezzat, Sawsan Dacrory

    Maqola20243 iqtibos
    ABI

  19. Effectiveness of expired estradiol valerate drug molecule as a corrosion inhibitor for mild steel in 1 M HCl medium: Waste utilization perspective

    Nadra Belhadj, Radouane Maizia

    Maqola20243 iqtibos
    ABI

  20. Computational and experimental investigation of anticorrosive potential of Panthenol for mild steel in 1 M hydrochloric acid solution

    Shveta Sharma, Sourav Kr. Saha, Namhyun Kang +4

    Maqola20243 iqtibos
    ABI

  21. Effect of spinach (Spinacia oleracea) leaf extract on the aluminum (Al) as a green corrosion inhibitor in HCl medium

    Heri Septya Kusuma, Geza Satya Danera, A. Maulana +5

    Maqola20243 iqtibos
    ABI

  22. Benzothiazolylhydrazine azomethine derivatives for efficient corrosion inhibition of mild steel in acidic environment: Integrated experimental and density functional theory cum molecular dynamics simulation approach

    Sourav Kr. Saha, Manilal Murmu, Naresh Chandra Murmu +1

    Maqola20222 iqtibos
    ABI

  23. In Silico Approaches for Some Sulfa Drugs as Eco-Friendly Corrosion Inhibitors of Iron in Aqueous Medium

    Soukaina Alaoui Mrani, Nаdiа Аrrousse, Rajesh Haldhar +5

    MaqolaOchiq kirish20222 iqtibos
    ABI

  24. Molecular structure, tautomer's, reactivity and inhibition studies on 6-Methyl-2-thiouracil for mild steel corrosion in aqueous HCl (1.00 M): Experimental and Theoretical Studies

    Mahmoud A. Bedair, Ahmed M. Abuelela, Wajdi M. Zoghaib +1

    Maqola20212 iqtibos
    ABI

  25. Schiff bases and their metal Complexes: A review on the history, synthesis, and applications

    Chérifa Boulechfar, Hana Ferkous, Amel Delimi +7

    Sharh maqola20232 iqtibos
    ABI