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92 ta ish

Ish: Dual-functional Quercus palustris leaves extract as a sustainable corrosion inhibitor for low-carbon steel and its biomedical potential: Electrochemical, biological, and computational insights

  1. 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

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

    Karen Schuchardt, Brett Didier, Todd Elsethagen +5

    Maqola200716 iqtibos
    ABI

  3. Experimental and computational studies on hydroxamic acids as environmental friendly chelating corrosion inhibitors for mild steel in aqueous acidic medium

    Dakeshwar Kumar Verma, Akram Al Fantazi, Chandrabhan Verma +4

    Maqola202013 iqtibos
    ABI

  4. A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

    Tian Lu

    Maqola202413 iqtibos
    ABI

  5. Investigations on some coumarin based corrosion inhibitors for mild steel in aqueous acidic medium: Electrochemical, surface morphological, density functional theory and Monte Carlo simulation approach

    Dakeshwar Kumar Verma, Savaş Kaya, Elhachmia Ech-chihbi +3

    Maqola202112 iqtibos
    ABI

  6. Corrosion inhibition, surface adsorption and computational studies of Swertia chirata extract: A sustainable and green approach

    Rajesh Haldhar, Dwarika Prasad, Dang Le Tri Nguyen +4

    Maqola202111 iqtibos
    ABI

  7. 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

  8. An overview on plant extracts as environmental sustainable and green corrosion inhibitors for metals and alloys in aggressive corrosive media

    Chandrabhan Verma, Eno E. Ebenso, Indra Bahadur +1

    Maqola201810 iqtibos
    ABI

  9. Anticorrosive properties of a green and sustainable inhibitor from leaves extract of Cannabis sativa plant: Experimental and theoretical approach

    Rajesh Haldhar, Dwarika Prasad, Nripendranath Mandal +3

    Maqola202110 iqtibos
    ABI

  10. Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations

    Walid Daoudi, Abdelmalik El Aatiaoui, Omar Dagdag +9

    MaqolaOchiq kirish202310 iqtibos
    ABI

  11. Use of Sida cordifolia extract as green corrosion inhibitor for mild steel in 0.5 M H2SO4

    Akhil Saxena, Dwarika Prasad, Rajesh Haldhar +2

    Maqola20179 iqtibos
    ABI

  12. Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models

    Fang Liu, Nathan Luehr, Heather J. Kulik +1

    MaqolaOchiq kirish20159 iqtibos
    ABI

  13. 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

  14. Glycyrrhiza glabra leaves extract as a green corrosion inhibitor for mild steel in 1 M hydrochloric acid solution: Experimental, molecular dynamics, Monte Carlo and quantum mechanics study

    Eiman Alibakhshi, Mohammad Ramezanzadeh, Ghasem Bahlakeh +3

    Maqola20187 iqtibos
    ABI

  15. Myristica fragrans extract as an eco-friendly corrosion inhibitor for mild steel in 0.5 M H2SO4 solution

    Rajesh Haldhar, Dwarika Prasad, Akhil Saxena

    Maqola20187 iqtibos
    ABI

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

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

    Maqola20097 iqtibos
    ABI

  17. Extension of the D3 dispersion coefficient model

    Eike Caldeweyher, Christoph Bannwarth, Stefan Grimme

    Maqola20177 iqtibos
    ABI

  18. Generating Efficient Quantum Chemistry Codes for Novel Architectures

    A.V. Titov, Ivan S. Ufimtsev, Nathan Luehr +1

    Maqola20126 iqtibos
    ABI

  19. Inhibition performance of Glycine max, Cuscuta reflexa and Spirogyra extracts for mild steel dissolution in acidic medium: Density functional theory and experimental studies

    Dakeshwar Kumar Verma, Fahmida Khan, Indra Bahadur +4

    MaqolaOchiq kirish20185 iqtibos
    ABI

  20. Development of different chain lengths ionic liquids as green corrosion inhibitors for oil and gas industries: Experimental and theoretical investigations

    Rajesh Haldhar, Chaitany Jayprakash Raorane, Vivek Kumar Mishra +3

    Maqola20225 iqtibos
    ABI

  21. Anticorrosion and rheological properties of Calyptocarpus vialis extract as a green coating for mild steel in 2MH2SO4

    Vishwajeet Bachhar, Vibha Joshi, Prayas Singh +4

    Maqola20245 iqtibos
    ABI

  22. Natural nutmeg oil as a green corrosion inhibitor for carbon steel in 1.0 M HCl solution: Chemical, electrochemical, and computational methods

    M. Abdallah, Hatem M. Altass, Arej S. Al-Gorair +3

    Maqola20205 iqtibos
    ABI

  23. Surfactants as biodegradable sustainable inhibitors for corrosion control in diverse media and conditions: A comprehensive review

    M. Lavanya, Avryl Anna Machado

    Sharh maqolaOchiq kirish20235 iqtibos
    ABI

  24. Rheological and anticorrosion study of Piper chaba extract and coating for mild steel in 2M H2SO4

    Vibha Joshi, Vishwajeet Bachhar, Prayas Singh +5

    MaqolaCorrosion Behavior and InhibitionColloids and Surfaces A Physicochemical and Engineering Aspects20244 iqtibos
    ABI

  25. A combined experimental and theoretical study of green corrosion inhibition of mild steel in HCl solution by aqueous Citrullus lanatus fruit (CLF) extract

    Ali Dehghani, Ghasem Bahlakeh, Bahram Ramezanzadeh +1

    Maqola20194 iqtibos
    ABI