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Shortfall of B3LYP in Reproducing NMR JCH Couplings in Some Isomeric Epoxy Structures with Strong Stereoelectronic Effects: A Benchmark Study on DFT Functionals

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Description scientific article published on 23 November 2017
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author: Ryszard B Nazarski  Jasper Adamson  Riina Aav  Jüri Jarvet 

Publication date November 23, 2017
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