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How to prepare input file for DFT Calculation | Gaussian 16 | Gauss View | gjf File 

chemmunicate !
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28 окт 2024

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Комментарии : 18   
@pavankk548
@pavankk548 10 месяцев назад
Thank you for the simple and clear video on input file for DFT. It’s cleared my confusion.
@chemmunicate
@chemmunicate 9 месяцев назад
Glad it was helpful!
@ChemicalFun
@ChemicalFun 11 месяцев назад
Thank you mam It was very helpful I performed the same very steps and was good to go Thank you ❤
@siddhalirajadhyaksha5857
@siddhalirajadhyaksha5857 5 месяцев назад
Waiting for your next set of videos on DFT calculations
@irvingmarquez1106
@irvingmarquez1106 5 месяцев назад
Thanks so much for sharing its very useful and important. Greetings from Mexico
@aayshapandey5170
@aayshapandey5170 4 месяца назад
What were the charge and multiplicity setting used for DFT calculation? Please tell me
@adit2ag
@adit2ag 2 года назад
Nicely explained 💯
@kamatchisuresh2984
@kamatchisuresh2984 2 года назад
Mam, nicely explained . I have a doubt that i have built a structure with 90 atoms of my chemical compound it as 487 electrons it have been run for more than 10 days. Can you suggest alternative was for running it bcz I am afraid over 10 days my lap will damage. Please mam give a suggestion.
@vishalbudhija6736
@vishalbudhija6736 2 года назад
💯💯
@soumyadeepchakrabortty8986
@soumyadeepchakrabortty8986 2 года назад
thank you madam
@elzeroquantumschool1607
@elzeroquantumschool1607 Год назад
Is gauss 16 run on windows
@ojeniyifiyinfoluwa8251
@ojeniyifiyinfoluwa8251 Год назад
Please what link can I use to download the software?
@Kidz644
@Kidz644 11 месяцев назад
where is next video please give me a link.
@kumarankit.
@kumarankit. 2 года назад
For DFT calculation in gauss view, do we need a cluster ??
@kumarankit.
@kumarankit. 2 года назад
Can you provide a video difference between gauss view and VASP calculation
@chemmunicate
@chemmunicate 2 года назад
In gauss view, we just prepare the molecule and save it as a gjf file. Calculation is done in gaussian. And you do not necessarily need cluster for smaller calculations. But mostly for big one.
@israelekoro8617
@israelekoro8617 6 месяцев назад
How do I perform calculations for complex organic molecules. I already tried using the software but it's taking a lot of time. Maybe I haven't done it correctly
@DiceRoll213
@DiceRoll213 2 месяца назад
The music is distracting for new beginners trying to learn. Respectfully.
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