Crystal structure of MOF with Mercury Software using cif file - How to use MERCURY ccdc software2023

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  • Опубліковано 7 лис 2024

КОМЕНТАРІ • 15

  • @shijildamodharan2771
    @shijildamodharan2771 Рік тому

    Thanks 👍👍

  • @DikinPatel-r2h
    @DikinPatel-r2h Рік тому +1

    Hello, This video is amazing. I am also proud of you because you told each and every things about software. Its amazing. I have one question, if i have new ligand which have not CIF file then what we can do for convert into CIF file.

    • @smart_labs
      @smart_labs  Рік тому

      You need a molecular structure to convert into a .cif file. However that will not have proper bond lengths and angles. But you will have an 3-D orientation.

    • @smart_labs
      @smart_labs  Рік тому

      Another way is to do a structure optimization by DFT studies (basic optimization) with software life avagardo

  • @prashantborkar5187
    @prashantborkar5187 Рік тому

    Hello sir, your video is very informative... Thank you 😊
    I have question sir that ,can we see how the intermolecular hydrogen bonding occurs in two different molecules (different compound) in mercury software ?

    • @smart_labs
      @smart_labs  Рік тому +1

      Yes , we can measure inter molecular hydrogen with mercury software only.. i will explain you in the next video

  • @priyadharshinit3177
    @priyadharshinit3177 Рік тому +1

    Hello sir, Can i do with out JCPDS or CIF card number?

  • @sanaaessalmi9428
    @sanaaessalmi9428 Рік тому

    Hello i have a question, how to use our data in mercury?

  • @BhaskarMondal-v5h
    @BhaskarMondal-v5h 10 місяців тому

    Sir...how I can export high quality tiff image of crystal from Mercury?

  • @hatembaabad7538
    @hatembaabad7538 Рік тому

    How i can identify my family final formula of my structure

  • @todaysneed9914
    @todaysneed9914 4 місяці тому

    Sir, how to overlay multiple structures? Overlay of two structures can be done in both mercury and olex. But how to do the same with more than two structures.

    • @smart_labs
      @smart_labs  2 місяці тому

      You can do any no. of structures

    • @todaysneed9914
      @todaysneed9914 2 місяці тому

      @@smart_labs are you sure? It's not possible to do with more than 2 structures. Pl explain if you did it.