Full four-component relativistic calculations of the one-bond 77Se-13C spin-spin coupling constants in the series of selenium heterocycles and their parent open-chain selenides

Copyright © 2014 John Wiley & Sons, Ltd.

Bibliographische Detailangaben
Veröffentlicht in:Magnetic resonance in chemistry : MRC. - 1985. - 52(2014), 5 vom: 18. Mai, Seite 214-21
1. Verfasser: Rusakov, Yury Yu (VerfasserIn)
Weitere Verfasser: Rusakova, Irina L, Krivdin, Leonid B
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2014
Zugriff auf das übergeordnete Werk:Magnetic resonance in chemistry : MRC
Schlagworte:Journal Article Research Support, Non-U.S. Gov't 77Se NMR 77Se-13C spin-spin coupling constants locally dense basis set open-chain selenides relativistic effects scalar relativistic corrections selenium heterocycles solvent effects mehr... spin-orbit relativistic corrections Heterocyclic Compounds Isotopes Organoselenium Compounds Solvents Selenium H6241UJ22B