GAUSSIAN - 7 (TD DFT 1)

[@iDenyTalent]

Sir what is a electron

[@muralidharpandey6074]

Sir in my project the active amino acid tyrosine react with phasphodiester bond of DNA strands.so for this reaction I am interested to show reaction path way by TD DFT calculation.If it is possible please guide me

[@rahulsahani3067]

Sir can you tell us about solving errors in the output of TD-DFT calculations

[@rackshnadevie2871]

Sir can you please explain how to do fluorescence calculation?

[@najlaelaallaoui3147]

Can you please tell me which basis set used to measure the uv spectra with solvant because I try with opt 6-31G(d,p) and I didn't succed . Thank you

[@AjeetSingh-eo1qu]

Basis set depends on the molecule your are taking and not on the calculation u are performing, 6-31 G is good for organic molecules but for heavier atoms, u need to look beyong Pople basis sets.

[@najlaelaallaoui3147]

@@AjeetSingh-eo1qu okay thank you sir . Excuse me I have another question :could you show me please how I can measure the uv spectra with solvent ?

[@ScienceAura]

@@najlaelaallaoui3147 you need to use the keyword SCRF= solvent . Please watch TD DFT 2 video and also uv spectra of Gaussian video we have uploaded . Please check the Playlist Gaussian in our channel. We have demonstrated it . Thankyou.

[@yahiaouibekki5629]

please , how to run a calcul TD -DFT methode from gaussian ?

[@ScienceAura]

Please follow TD DFT part 2 video. You will get to know how to do it.