An automated framework for NMR chemical shift calculations of small organic molecules

Overview of attention for article published in Journal of Cheminformatics, October 2018

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Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts

Computational Chemistry Daily, 03 Nov 2020

pubs.acs.org - Because of their anisotropic electron distribution and electron deficiency, halonium ions are unusually strong…

An automated framework for NMR chemical shift calculations of small organic molecules

MacinChemBlog, 05 Nov 2018

A recent paper in Journal of Cheminformatics describes An automated framework for NMR chemical shift calculations of small…

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