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6:22
YouTube
Phys Whiz
TURBOMOLE Tutorial: Geometry Optimization and Vibrational Frequency Analysis using TmoleX GUI
Learn how to perform geometry optimization and vibrational frequency calculations using TURBOMOLE's graphical user interface TmoleX! In this comprehensive tutorial, we use ibuprofen as an example molecule to demonstrate the complete workflow from structure setup to verifying if the optimized geometry is a true local minimum. 00:00 ...
405 views
2 months ago
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