Tutorial 4: Molecular Mechanics Based Geometry Optimization in Avogadro

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Research TechnoTools

Research TechnoTools

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@ankitaray6774
@ankitaray6774 2 жыл бұрын
Excellent !
@josephantony2291
@josephantony2291 2 жыл бұрын
Sir, Can you please put a video for a material like BaMgAl10O17 doped Eu ?
@manojshekhawat1
@manojshekhawat1 2 жыл бұрын
Lumpack can easily calculate JO parameters for Eu Complex. You need to provide an optimised geometry structure using any software like Avogadro.
@josephantony2291
@josephantony2291 2 жыл бұрын
Can you please suggest me some software like avogatro????
@manojshekhawat1
@manojshekhawat1 2 жыл бұрын
You can try Gaussian, Chimera etc
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