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Wyniki wyszukiwania dla: FUNCTIONALITIES

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

    Dane Badawcze
    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...