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47 ta ish

Ish: Synthesis investigation and exploring of new tetraglycidyl bisurea bisphenyl S polyepoxide as an excellent corrosion inhibitory resin for mild steel in 1M HCl environment: Comprehensive approaches

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011110 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

    Maqola202132 iqtibos
    ABI

  3. New Epoxy sugar based glucose derivatives as eco friendly corrosion inhibitors for the carbon steel in 1.0 M HCl: Experimental and theoretical investigations

    Mohamed Rbaa, Parul Dohare, Авни Бериша +7

    Maqola202018 iqtibos
    ABI

  4. Performance of two new epoxy resins as potential corrosion inhibitors for carbon steel in 1MHCl medium: Combining experimental and computational approaches

    Naoual El-Aouni, Rachid Hsissou, Zaki Safi +10

    Maqola202115 iqtibos
    ABI

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

    Karen Schuchardt, Brett Didier, Todd Elsethagen +5

    Maqola200715 iqtibos
    ABI

  6. New epoxy resin as a corrosion inhibitor for the protection of carbon steel C38 in 1M HCl. experimental and theoretical studies (DFT, MC, and MD)

    M. Damej, Rachid Hsissou, Авни Бериша +5

    Maqola202212 iqtibos
    ABI

  7. 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 Chemistry202412 iqtibos
    ABI

  8. Green synthesis of novel carbohydrate polymer chitosan oligosaccharide grafted on d-glucose derivative as bio-based corrosion inhibitor

    Mohamed Rbaa, F. Benhiba, R. Hssisou +5

    Maqola202011 iqtibos
    ABI

  9. Insight into the corrosion inhibition of novel macromolecular epoxy resin as highly efficient inhibitor for carbon steel in acidic mediums: Synthesis, characterization, electrochemical techniques, AFM/UV–Visible and computational investigations

    Rachid Hsissou, Said Abbout, F. Benhiba +9

    Maqola202111 iqtibos
    ABI

  10. 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

    Maqola202411 iqtibos
    ABI

  11. Development rheological and anti-corrosion property of epoxy polymer and its composite

    Rachid Hsissou, Omar Dagdag, Mohamed Berradi +3

    Maqola201910 iqtibos
    ABI

  12. Synthesis Characterization and Highly Protective Efficiency of Tetraglycidyloxy Pentanal Epoxy Prepolymer as a Potential Corrosion Inhibitor for Mild Steel in 1 M HCl Medium

    Rachid Hsissou, Redouane Lachhab, Anouar El Magri +5

    Maqola202210 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

    Maqola20158 iqtibos
    ABI

  14. Study of new phosphorus-sulfur epoxy polymer for CS anticorrosion in HCl solution: Experimental and theoretical investigations

    Naoual El-Aouni, Omar Dagdag, Abdeslam El-Amri +7

    Maqola20238 iqtibos
    ABI

  15. Evaluation of corrosion inhibition performance of phosphorus polymer for carbon steel in [1 M] HCl: Computational studies (DFT, MC and MD simulations)

    Rachid Hsissou, Said Abbout, R. Seghiri +5

    Maqola20207 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. Gravimetric, electrochemical and theoretical study, and surface analysis of novel epoxy resin as corrosion inhibitor of carbon steel in 0.5 M H2SO4 solution

    Said Abbout, Rachid Hsissou, H. Erramli +4

    Maqola20217 iqtibos
    ABI

  18. Development of ReaxFF Reactive Force Field for Aqueous Iron–Sulfur Clusters with Applications to Stability and Reactivity in Water

    Evgeny Moerman, David Furman, David J. Wales

    Maqola20216 iqtibos
    ABI

  19. Generating Efficient Quantum Chemistry Codes for Novel Architectures

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

    Maqola20126 iqtibos
    ABI

  20. Elaboration and Electrochemical Studies of the Coating Behavior of a New Nanofunctional Epoxy Polymer on E24 Steel in 3.5 % NaCl

    Rachid Hsissou, Bouchra Benzidia, Najat Hajjaji +1

    Maqola20186 iqtibos
    ABI

  21. 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

    Maqola20236 iqtibos
    ABI

  22. Elaboration, Electrochemical Investigation and Morphological Study of the Coating Behavior of a New Polymeric Polyepoxide Architecture:

    RD Hssissou, Bouchra Benzidia, Najat Hajjaji +1

    Maqola20195 iqtibos
    ABI

  23. Development of new polymer composites formulated by glass as a potential protective coating for 3D printed H13 steel in acidic medium: DFT, MC and MD computational

    Anouar El Magri, Rachid Hsissou, Abdelfettah Hmada +3

    Maqola20235 iqtibos
    ABI

  24. Contribution to the corrosion inhibition of C38 steel in 1 M hydrochloric acid medium by a new epoxy resin PGEPPP

    A. Molhi, Rachid Hsissou, M. Damej +97

    Maqola20214 iqtibos
    ABI

  25. Probing of Neural Networks as a Bridge from Ab Initio Relevant Characteristics to Differential Scanning Calorimetry Measurements of High‐Energy Compounds

    N. V. Bondarev, Konstantin P. Katin, В. Б. Меринов +3

    Maqola20214 iqtibos
    ABI