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Gaussview Tutorial: How to Load Chemdraw 2D structures in Gaussview 

MD with Gourav
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28 окт 2024

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Комментарии : 10   
@saviofonseca7306
@saviofonseca7306 4 месяца назад
Thank you very much for the video
@nusaibanazrul9885
@nusaibanazrul9885 4 месяца назад
Is it possible to draw a compound in Chemdraw and save it in MDL(mol) format. Then open it in the gaussview? Without the use of Avogadro.
@mdwithgourav9263
@mdwithgourav9263 4 месяца назад
Yes, you can save it in MDL SDfile (sdf) format. Then you can open it in Gaussview and use the clean tool.
@nusaibanazrul9885
@nusaibanazrul9885 4 месяца назад
@@mdwithgourav9263 Did it the way you suggested. Then I cleaned and symmetrized the compound in gaussview and saved it in mol format for energy minimization in Gabedit which worked too. But when I try to open the energy minimized file(mol) in gaussview it says 'Failure reading molecules from MDL file'
@mdwithgourav9263
@mdwithgourav9263 4 месяца назад
@@nusaibanazrul9885 I don't think an optimized geometry file from software other than Gaussian will open in Gaussview.
@pradeepnagaraj915
@pradeepnagaraj915 5 месяцев назад
Is it possible to calculate quatum dot dft in gaussian view?
@alaayosef505
@alaayosef505 5 месяцев назад
Yes
@Learning432
@Learning432 Год назад
Great 👍,
@sandeepkashyap533
@sandeepkashyap533 Год назад
Thanks
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