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Search results for: analytic%20information%20theory

  • The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

    Open Research Data
    open access
    • M. Krośnicki

    The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...

  • Model dynamic electrochemical impedance spectroscopy (DEIS) results obtained with various DC polarization rates

    Open Research Data
    open access

    The dataset contains results of model dynamic electrochemical impedance spectroscopy studies carried out on a setup of 10 diodes in series, which were connected in parallel with a condenser. The impedance data were acquired every 1 s (the analytic window length for Fourier Transform was 1 s). The model system was polarized between 0 and +8 V with DEIS...

  • Depth chemical profile in a CeIr3 sample

    Open Research Data
    open access

    The polycrystalline sample of CeIr3 used in the present studies was synthesized by arc-melting cerium (4N) and iridium (3N5) in an arc furnace on a water-cooled copper hearth using a tungsten electrode under a high purity argon atmosphere. A piece of zirconium was used as an oxygen getter. First, a button of Ir was prepared by arc-melting the iridium...