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Topic: Calculation of UV spectra in gaussian-09 software with solvant  (Read 595 times)

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Offline NajlaELAALLAOUI

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Calculation of UV spectra in gaussian-09 software with solvant
« on: November 29, 2021, 05:23:33 AM »
Hello everyone.

     From Gaussian website, they mentioned "Gaussian 16 can use NVIDIA K40, K80, P100 (Rev. B.01) and V100 (Rev. C.01) GPUs under Linux.
      I would like to know if I have the possibility to recover the Gaussian licence in case my PC has crashed. also I am doing my calculation of uv spectra using the Gaussian 09 software, but when I compare with the experimental results I noticed a shift as I did my calculations without solvent but the experiment was done using THF solvent.
Could someone suggest a way to make this measurement taking into consideration
this solvent ?

Thank you


Offline Borek

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Re: Calculation of UV spectra in gaussian-09 software with solvant
« Reply #1 on: November 29, 2021, 07:15:57 AM »
I would like to know if I have the possibility to recover the Gaussian licence in case my PC has crashed.

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Offline NajlaELAALLAOUI

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Re: Calculation of UV spectra in gaussian-09 software with solvant
« Reply #2 on: November 29, 2021, 02:17:28 PM »
ok thank you

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