How to calculate UV-VIS TD-DFT spectra using Gaussian 09W | TD-DFT | Absorbance Spectrum

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  • Опубликовано: 26 авг 2024

Комментарии • 13

  • @user-ox8ft2ur3c
    @user-ox8ft2ur3c Месяц назад

    Thank you for very useful video! Then I have a question. Is it possible to calculate the imaginary part of the complex dielectric constant using TD DFT calculations?

  • @mashaelalotaibi8062
    @mashaelalotaibi8062 16 дней назад

    Thank you so much. Please could you share the Che mission software with us?

  • @Learning432
    @Learning432 9 месяцев назад +1

    Great work, please make a video on how we can find the "deformation energy" of any system.

  • @veerapandianv4322
    @veerapandianv4322 3 месяца назад +2

    Sir, I couldn't open the log file in this software. I have done my job by HPC sir.

    • @dbinfotech
      @dbinfotech  3 месяца назад +2

      You need to add some keywords to do UV calculations, please carefully follow this video

    • @dbinfotech
      @dbinfotech  3 месяца назад +2

      Pop=Full

  • @abdelhamidbadaoui4011
    @abdelhamidbadaoui4011 9 месяцев назад +1

    Thank you
    Very usefull

  • @SB72722
    @SB72722 5 месяцев назад +1

    606nm is emission bro not absorption....