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Chemistry Forums for Students => Physical Chemistry Forum => Topic started by: NajlaELAALLAOUI on November 29, 2021, 05:23:33 AM

Title: Calculation of UV spectra in gaussian-09 software with solvant
Post by: NajlaELAALLAOUI 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

Title: Re: Calculation of UV spectra in gaussian-09 software with solvant
Post by: Borek on November 29, 2021, 07:15:57 AM

Quote from: NajlaELAALLAOUI on November 29, 2021, 05:23:33 AM

I would like to know if I have the possibility to recover the Gaussian licence in case my PC has crashed.

Ask their support, not us.

Title: Re: Calculation of UV spectra in gaussian-09 software with solvant
Post by: NajlaELAALLAOUI on November 29, 2021, 02:17:28 PM

ok thank you