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Geometry Optimization using CASTEP in Material Studio

The Chemistry Toolkit

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Geometry Optimization using CASTEP in Material Studio

18 просмотров · 13 дн. назад
The Chemistry Toolkit
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18 просмотров · 13 дн. назад
In this video, I will show how to begin the geometry optimization for an organic molecule like violanthrone-79 using the CASTEP module.