Shortfall of B3LYP in reproducing NMR JCH couplings in some isomeric epoxy structures with strong stereoelectronic effects : a benchmark study on DFT functionals
Adamson, Jasper
;
Nazarski, Ryszard B.
;
Jarvet, Jüri
;
Pehk, Tõnis
;
Aav, Riina
ChemPhysChem
2018
/
p. 631-642 : ill
https://doi.org/10.1002/cphc.201701125
https://www.scopus.com/sourceid/26588
https://www.scopus.com/record/display.uri?eid=2-s2.0-85040666373&origin=inward&txGid=acc32b0dcf9e5d61dce0ecb74f46d1fd
https://jcr.clarivate.com/jcr-jp/journal-profile?journal=CHEMPHYSCHEM&year=2022
https://www.webofscience.com/wos/woscc/full-record/WOS:000426608900012