• Multiwfn forum

    Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

    You are not logged in.

    #1 Re: Multiwfn and wavefunction analysis CDFT 2021-03-30 14:20:20

    Thanks a lot sir! Those were helpful.
    Would you please let me know if there is a method available for computing the pKb values of inorganic bases like K2CO3 or K3PO4 theoretically ? Thanks in advance!

    #2 Multiwfn and wavefunction analysis CDFT 2021-03-24 02:51:12

    MayukhMajumder
    Replies: 3

    Can you please tell me what is the physical interpretation of local softness, electrophilicity and fukui function? And what does Shanon entropy signifies?

    Board footer

    Powered by FluxBB

    久久精品国产99久久香蕉