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    #1 Multiwfn and wavefunction analysis ? About the calculation of the analytical hardness using Multiwfn ? 2024-11-27 21:17:56

    dglossman53
    Replies: 1

    Dear Tian Lu,

    Is it possible to calculate the analytical hardness of a molecule or an ion as defined in the following papers using Multiwfn?

    Journal of  Chemical Theory and Computation 20 (2024) 1169-1184

    Journal of  Physical Chemistry Letters 15 (2034) 11259-11267


    Thanks in advance. Best regards,


    Dr. Daniel Glossman-Mitnik

    Pages: 1

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