• 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

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    #1 Re: Multiwfn and wavefunction analysis Fukui function-values 2023-03-20 05:39:52

    thank you, sir
    I got more information from CDFT ( section 4.22.1)

    #2 Multiwfn and wavefunction analysis Fukui function-values 2023-03-15 06:53:24

    Raja@Chem
    Replies: 2

    Dear tian lu professor
    I generated f- iso surface successfully based on manual section 4.5.4.1.
    how can I get f- values. it is mandatory data for publication

    thank you sir

    #3 Re: Multiwfn and wavefunction analysis List of Multiwfn video tutorials 2022-12-30 07:19:35

    Dear Prof Lu
    we have utilized the Multiwfn program, sobtop and gained more knowledge

    Thank you Dear Professor Tian Lu for your kind help.

    we need videos of a new software
    Molclus: A very easy-to-use program for searching cluster configurations and molecular conformations
    concvar:A computer program for simulation of concentration variation of complex chemical reactions

    videos are more easily understood than manual

    if possible release videos on concvar and molclus

    Regards
    Raja Karreddula

    #5 Multiwfn and wavefunction analysis USI & BNI calculation 2022-12-21 08:48:10

    Raja@Chem
    Replies: 2

    [2022-May-14] The USI (ultra-strong interaction) index and BNI (bonding and noncovalent interaction) index proposed in J. Phys. Chem. A, 126, 2437?2444 (2022) has been added as user-defined functions 819 and 820 respectively. They are new tools for studying chemical bonds.


    How can we do this sir

    how can we go for 819, 820 function

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