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1 Ergebnisse
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DELTA50: A Highly Accurate Database of Experimental 1 H and..:
Ryan D. Cohen
;
Jared S. Wood
;
Yu-Hong Lam
...
https://www.mdpi.com/1420-3049/28/6/2449. , 2023
Link:
https://doi.org/10.3390/molecules28062449
RT Journal T1
DELTA50: A Highly Accurate Database of Experimental 1 H and 13 C NMR Chemical Shifts Applied to DFT Benchmarking
UL https://suche.suub.uni-bremen.de/peid=base-ftdoajarticles:oai:doaj.org_article:54ed81ada0c14c79b1a03ce3cb2aa001&Exemplar=1&LAN=DE A1 Ryan D. Cohen A1 Jared S. Wood A1 Yu-Hong Lam A1 Alexei V. Buevich A1 Edward C. Sherer A1 Mikhail Reibarkh A1 R. Thomas Williamson A1 Gary E. Martin PB MDPI AG YR 2023 K1 NMR K1 DFT K1 chemical shift predictions K1 benchmark K1 computational chemistry K1 Organic chemistry K1 QD241-441 JF https://www.mdpi.com/1420-3049/28/6/2449 LK http://dx.doi.org/https://doi.org/10.3390/molecules28062449 DO https://doi.org/10.3390/molecules28062449 SF ELIB - SuUB Bremen
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