Open AccessRelativistic prediction of Pt-195 NMR chemical shift using the NMR- DKH basis sets.
Author(s) -
Diego Paschoal,
Joyce H. C. e Silva
Publication year - 2020
Language(s) - English
Resource type - Conference proceedings
DOI - 10.21826/viiiseedmol2020184
Subject(s) - chemical shift , nuclear magnetic resonance spectroscopy , basis set , chemistry , density functional theory , basis (linear algebra) , relativistic quantum chemistry , carbon 13 nmr , computational chemistry , physics , atomic physics , mathematics , stereochemistry , geometry