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

    Karen Schuchardt, Brett Didier, Todd Elsethagen +5

    Мақола200715 иқтибос
    ABI
  2. A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

    Tian Lu

    Мақола20248 иқтибос
    ABI
  3. DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations

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

    Мақола20097 иқтибос
    ABI
  4. Extension of the D3 dispersion coefficient model

    Eike Caldeweyher, Christoph Bannwarth, Stefan Grimme

    Мақола20177 иқтибос
    ABI
  5. Generating Efficient Quantum Chemistry Codes for Novel Architectures

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

    Мақола20126 иқтибос
    ABI