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Questions related from Leyla Rohani
In some cases, VEDA does not show the correct calculated freq.
07 July 2018 1,982 0 View
Is it possible to run Gaussiuan16 on GPU without using Linda workers?
12 December 2017 1,280 0 View
I optimized a two-layer ONIOM structure. Is there any scientific support for using part of the optimized structure in freq. calculation?
03 March 2017 1,533 0 View
when do we use charge embed in ONIOM calculation? How do we decide about all or part of structure?
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Did anybody face the bond changing after freezing (just heavy atoms) and optimization?
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