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    #1 Re: Quantum Chemistry Theoretical antioxidant activity 2023-07-18 04:50:54

    electron transfer enthalpy gaussian information

    #2 Quantum Chemistry Theoretical antioxidant activity 2023-07-18 04:22:37

    nsantos
    Replies: 2

    I'm calculating the enthalpy value of the hydrogen atom and the hydrogen proton, but I'm having trouble getting the enthalpy value from the electron value in hydrogen. The calculations are being done via DFT, I would like to know if anyone has an opinion on how to obtain this value?

    #3 Re: Multiwfn and wavefunction analysis installing Multifn on Ubuntu 20.04.2 LTS 2022-10-21 14:10:18

    $ export Multiwfnpath=/home/downloads/Multiwfn_3.8_dev_bin_Linux
    $ export PATH=$PATH:/home/downloads/Multiwfn_3.8_dev_bin_Linux
    $ chmod +x /home/downloads/Multiwfn_3.8_dev_bin_Linux
    chmod: cannot access '/home/downloads/Multiwfn_3.8_dev_bin_Linux': No such file or directory

    I also downloaded MultiWFn_3.8_dev_bin_Linux.zip

    The same happened

    #4 Re: Multiwfn and wavefunction analysis installing Multifn on Ubuntu 20.04.2 LTS 2022-10-21 13:49:00

    Hello

    I'm trying to install MultiWFn

    ~$ sudo apt-get install libmotif-common
    Reading package lists... Done
    Building dependency tree... Done
    Reading state information... Done
    libmotif-common is already the newest version (2.3.8-3).
    0 upgraded, 0 newly installed, 0 to remove and 27 not upgraded.

    I have installed libxm4 and libmotif-common

    In the bashrc file I have set:

    $ export Multiwfnpath=/home/downloads/Multiwfn_3.8_dev_src_Linux
    $ export PATH=$PATH:/home/downloads/Multiwfn_3.8_src_Linux
    $ chmod +x /home/downloads/Multiwfn_3.8_dev_src_Linux
    chmod: cannot access '/home/downloads/Multiwfn_3.8_dev_src_Linux': No such file or directory

    However, I don't know which procedure I did wrong.

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