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55 ta ish

Ish: Exploration of the Ocimum americanum extract as a novel pickling agent for steel in sulfuric acid medium: electrochemical, surface modification, DFT, and MC simulation studies

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

    Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger +12

    MaqolaOchiq kirish202139 iqtibos
    ABI

  3. Basis Set Exchange:  A Community Database for Computational Sciences

    Karen Schuchardt, Brett Didier, Todd Elsethagen +5

    Maqola200716 iqtibos
    ABI

  4. 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

  5. Inhibition performances of new pyrazole derivatives against the corrosion of C38 steel in acidic medium: Computational study

    Savaş Kaya, Farhan Siddique, Dilara Özbakır Işın +3

    MaqolaOchiq kirish202411 iqtibos
    ABI

  6. Use of Saraca ashoka extract as green corrosion inhibitor for mild steel in 0.5 M H2SO4

    Akhil Saxena, Dwarika Prasad, Rajesh Haldhar +2

    Maqola20189 iqtibos
    ABI

  7. Development of a ReaxFF Reactive Force Field for Fe/Cr/O/S and Application to Oxidation of Butane over a Pyrite-Covered Cr<sub>2</sub>O<sub>3</sub> Catalyst

    Yun Kyung Shin, Hyunwook Kwak, Alex V. Vasenkov +2

    Maqola20159 iqtibos
    ABI

  8. Santolina chamaecyparissus extract as a natural source inhibitor for 304 stainless steel corrosion in 3.5% NaCl

    Mehdi Shabani‐Nooshabadi, Maryam-Sadat Ghandchi

    Maqola20157 iqtibos
    ABI

  9. DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations

    Johannes Kästner, Joanne M. Carr, Thomas W. Keal +3

    Maqola20097 iqtibos
    ABI

  10. Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption

    Elizaveta Kalika, Konstantin P. Katin, A. I. Kochaev +3

    Maqola20226 iqtibos
    ABI

  11. Electrochemical studies and surface examination of low carbon steel by applying the extract of Musa acuminata

    Akhil Saxena, Kamal Kishor Thakur, Nishant Bhardwaj

    Maqola20205 iqtibos
    ABI

  12. 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

  13. Application of expired Febuxostat drug as an effective corrosion inhibitor for steel in acidic medium: Experimental and theoretical studies

    Mohit Jaiswal, Akhil Saxena, Jasdeep Kaur

    Maqola20245 iqtibos
    ABI

  14. Electrochemical and DFT studies of Terminalia bellerica fruit extract as an eco-friendly inhibitor for the corrosion of steel

    Ahmed M. Abuelela, Jasdeep Kaur, Akhil Saxena +3

    MaqolaOchiq kirishCorrosion Behavior and InhibitionScientific Reports20234 iqtibos
    ABI

  15. Investigation of phytochemical components and corrosion inhibition property of Ficus racemosa stem extract on mild steel in H2SO4 medium

    Manpreet Kaur Bagga, Ranu Gadi, Ompal Singh Yadav +3

    Maqola20164 iqtibos
    ABI

  16. Investigations of corrosion inhibition of ethanolic extract of Dillenia suffruticosa leaves as a green corrosion inhibitor of mild steel in hydrochloric acid medium

    Ukashat Mamudu, José H. Santos, Savıour A. Umoren +2

    Maqola20244 iqtibos
    ABI

  17. Xanthione: A new and effective corrosion inhibitor for mild steel in sulphuric acid solution

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

    Maqola20104 iqtibos
    ABI

  18. Rapeseed cake meal extract as an efficient plant-based inhibitor for the corrosion of steel in Cl2CHCOOH: Experiments and molecular modeling calculations

    Qian Shi, Shuduan Deng, Dake Xu +3

    Maqola20254 iqtibos
    ABI

  19. Experimental assessment and molecular-level exploration of the mechanism of action of Nettle (Urtica dioica L.) plant extract as an eco-friendly corrosion inhibitor for X38 mild steel in sulfuric acidic medium

    Radouane Maizia, Aida Zaabar, Atmane Djermoune +9

    Maqola20234 iqtibos
    ABI

  20. A comprehensive study on crude methanolic extract of Artemisia pallens (Asteraceae) and its active component as effective corrosion inhibitors of mild steel in acid solution

    Subhadra Garai, Saraswati Garai, Saraswati Garai +3

    Maqola20123 iqtibos
    ABI

  21. Analysis of corrosion inhibition of Kleinhovia hospita plant extract aided by quantification of hydrogen evolution using a GLCM/SVM method

    Femiana Gapsari, Djarot B. Darmadi, Putu Hadi Setyarini +7

    Maqola20233 iqtibos
    ABI

  22. 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

  23. The inhibition of low carbon steel corrosion in hydrochloric acid solutions by succinic acid

    Mohammed A. Amin, Sayed S. Abd El‐Rehim, E.E. Foad El-Sherbini +1

    Maqola20063 iqtibos
    ABI

  24. Corrosion inhibition assessment of the Curcumis melon extract on low-carbon steel in 0.5 M H2SO4 using potentiodynamic polarization, electrochemical impedance spectroscopy, scanning electron microscope, DFT and MD simulation studies

    Hritik Jha, Akhil Saxena, Jasdeep Kaur +4

    MaqolaCorrosion Behavior and InhibitionThe European Physical Journal Plus20242 iqtibos
    ABI

  25. The novel inhibitive action of the N-(p-ethylphenyl)thiobenzohydroxamic acid for mild steel in 1 M HCl medium: electrochemical, thermodynamic, DFT, and MD simulation study

    Yeestdev Dewangan, Bhaskaran Bhaskaran, Vivek Kumar Mishra +7

    MaqolaCorrosion Behavior and InhibitionThe European Physical Journal Plus20252 iqtibos
    ABI