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

Adamson, J.; Nazarski, R. B.; Jarvet, J.; Pehk, T.; Aav, R. (2018). Shortfall of B3LYP in Reproducing NMR JCH Couplings in Some Isomeric Epoxy Structures with Strong Stereoelectronic Effects: A Benchmark Study on DFT Functionals. ChemPhysChem.10.1002/cphc.201701125.
ajakirjaartikkel
Adamson, J.; Nazarski, R. B.; Jarvet, J.; Pehk, T.; Aav, R.
  • Inglise
ChemPhysChem
1439-4235
2018
Ilmunud
1.1. Teadusartiklid, mis on kajastatud Web of Science andmebaasides Science Citation Index Expanded, Social Sciences Citation Index, Arts & Humanities Citation Index ja/või andmebaasis Scopus (v.a. kogumikud)
WOS

Viited terviktekstile

dx.doi.org/10.1002/cphc.201701125