VEDA - step by step procedures for DFT Vibrational Energy Distribution analysis

[@palashboruah2864]

Sir you are doing a great job, thank you very much.

[@kevinalejandromongehoyos6272]

Great Video Mr.

[@perrydevo9137]

Excellent tutorial, thank you.

[@pelagiemanwal.mekoung9595]

Thank you so much 🙏🏾

[@ahmedaldoori6221]

Thank you dear
Very representative explanation

[@muralidharandhamodharan9816]

very nice presentation.

[@AravinthrajM]

Very clear presentation sir...nice effort

[@YTantirungrotechai]

Very Useful. Thank you.

[@israelekoro8617]

thanks for the video
can you please explain how do I identify which animations are for bending and stretching in gaussian frequency result output

[@carbonmani8618]

thank you for the very good explanation and thought is awesome.keep it up, sir.

[@HWC_CHEMISTRY]

Thanks sir

[@tarunpal2010]

Thanks for your nice presentation. May we get a lecture for the formation of metal complex in GaussView? [ For example: a metal complex in which one metal ion (Ni2+ or, Cu2+) is surrounded by two uni-negative bidentate ligands (acetylacetonate ion).

[@jewelhossen2198]

Sir
I also watch this video

[@gajanandongare923]

very nice

[@SasikumarMayarambakam]

Dear Thank you for the excellent videos. Could please do one video on Raman spectra by DFT.
Thank you

[@loveonly786]

Best, thank you

[@sureshkoppula2229]

thank you sir, you are doing a gud job

[@anilkumarh3587]

Sir ur Hirshfeld analysis video is really good. Sir can u guide me how to plot reduced density gradent vs electron density multiplied by sign of the 2nd Hessian eigen value in crystal explorer

[@رحمةرحيم-ز8ض]

plz step by step procedures for multiwfn software and VMD

[@physicalandquantumchemistr5054]

Hi doctor, I found your vedios are very great and easely understood, please can you explain how can we prepare input file of DFT calculation for complex (organometallic compound such as example [Fe (NH3)6] , please doctor we are waiting. Thanks a lot , Regards

[@kanyakumarirecipes1847]

Sir pls take lecture for writing computational calculation of dft for journal publication

[@pelagiemanwal.mekoung9595]

Thank you for this presentation.
I have a problem with my .chk files
- I can't use the ones that were obtained by calculations on a cluster to use them on the Veda software.

[@pelagiemanwal.mekoung9595]

Can you make a video in NLO property ?

[@gagandeepkaur6832]

Sir, This is very appreciated work being done by you.
I have one question
If structure is completely optimized with representation:
Item. Converged
Max force Yes
RMS force Yes
Max disp Yes
RMS disp Yes
And frequency is having no imaginary frequency with normal termination of job but showing:
Item Converged
Max force Yes
RMS force Yes
Max disp No
RMS disp Yes
Then plz suggest possible way to obtain fully converged frequency for optimized structure. Or its results can be considered for publication?
Thanking you alot

[@AyshaFatimaprincess]

Sir can u make video how to find out no. Of conformers and to calculate energy of conformers in theoretical studies

[@haddouabdelghani6911]

Thank you so much.

[@surajjoshi3612]

1. Identification of plants by text mining
2. X- score software for redocking
3. Anticancer efficacy by CDRUG online server
Sir plz make a video on the topic, no any teachers makes a video on the topic

[@ansariiqrar8888]

Dear sir, I have done theoretical IR prediction from Schrodinger jaguar software, I got a .out file, I want to know how can I do PED analysis from this file.

[@abhishekranamagar5008]

In the the file from skdra.dd2 file what does those -1 complex shown represents?? and how do we represent it in our papers can anyone help out ??

[@sujithaas4352]

Sir, my veda output file is showing only frequency upto 2900, but I have FT-IR peaks at 3600 also. How can I rectify it?

[@ambadi3355]

how to write 100 as a percentage in assingnment PED ? and how to sum these percentage ? please tell me sir.

[@Learning432]

I am trying to download the VEDA, its showing your connection is not private. Is there any other solution to download it.

[@brunosamp2322]

What do i do when the skra.dd2 file doesn't show what normal mode the frequency is associated?

[@chethanb.s3980]

Sir I am getting negative PED values for some frequencies in the VEDA output file sir. What to do in such cases sir.

[@subhamsahu9788]

respected sir can you please provide the gaussian 09 software ......please.....

[@youssrafatima3671]

Thank you very much. But why my veda4 is taken to long time to calculate after all what i do to reach a good .log fule from gaussian 09

[@qudamaalsobahi6651]

i need this program , do you can send it to me ???

[@riadhkefi1722]

I worked on VEDA 4, I got stuck after the step of "checkDD2" by this error message "CAUTION: shortage of coordinates 149 instead of 150 regarded 3 rings, 5 XY3 non-flat groups alternative coordinates 146 the new file skra.dd2 (old skra.dd2 -> sskra.dd2) error in DD2, coordinate No. 150 creation of Coordinates Definitions: DD2 file skra.dd2

[@qudamaalsobahi6651]

i need this program , do you can send it to me ???

[@mohsenmtt]

the vibrations option in veda is not active? what would be the reason?

[@crkphy]

Save normal modes option in frequency calculation.

[@mohsenmtt]

@@crkphy i did but still unactive

[@hibashajahan6822]

I am having same issue. Even after saving normal modes. Please help

[@hibashajahan6822]

@@crkphy vibration option in veda is not active even after saving normal modes. Please help sir

[@sourav.chem_CU]

Veda program is free for windows??

[@crkphy]

Yes. It is free

[@saiprasanna9248]

Sir, may i know your personal mail id