Lecture

Computing Chemical Shifts

In course

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Description

This lecture covers the importance of computed chemical shifts in NMR spectroscopy, exploring the need for quantum mechanical computations to determine chemical shielding. It delves into Density Functional Theory (DFT) and its approximations, discussing the challenges and principles of machine learning for predicting chemical shifts.

Instructor

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Official source

https://mediaspace.epfl.ch/media/0_15kb55dm

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