Programming Basics and How to Write NMR Simulation Software

The 13th session of the Global NMR Discussion Meeting was held on 21st August 2020 via Zoom. Dr. Frédéric Perras gave a talk on some programming basics and writing NMR simulation software with static and magic angle spinning (MAS) chemical shift anisotropy (CSA) lineshapes as examples. The video was recorded live during the presentation and serves as an educative lecture.

The programs described in the video can be found and run online:

https://repl.it/@fperras/staticCSA

https://repl.it/@fperras/MASCSA

Dr. Frédéric Perras is an Associate Scientist at Ames Laboratory, Iowa, U.S.A.

Follow Dr. Perras on Twitter: @Fred_A_Perras

Website: https://www.ameslab.gov/directory/fre...

Google Scholar: https://scholar.google.ca/citations?u...

Link: https://youtu.be/pUEno5w7lqY

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Theoretical Understanding of MAS Dynamic Nuclear Polarization

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Numerical Simulations in Solid-State NMR (SIMPSON)