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    #1 Quantum Chemistry Coulomb repulsion 2022-04-14 16:32:38

    Stefanos Zoidis
    Replies: 1

    Dear MultiWFN Forum,

    Is it possible to calculate the Coulomb repulsion between two protons in a molecule by using ORCA and MultiWFN?

    Thank you very much for your help

    Stefanos Zoidis

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