First example of the correlated calculation of the one-bond tellurium-carbon spin-spin coupling constants Relativistic effects, vibrational corrections, and solvent effects

First example of the correlated calculation of the one-bond tellurium-carbon spin-spin coupling constants : Relativistic effects, vibrational corrections, and solvent effects

© 2016 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 37(2016), 15 vom: 05. Juni, Seite 1367-72
1. Verfasser: Rusakova, Irina L (VerfasserIn)
Weitere Verfasser: Rusakov, Yury Yu, Krivdin, Leonid B
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't 125Te NMR 4-component DFT 4-component RPA SOPPA relativistic effects tellurium-carbon spin-spin coupling constant
Online verfügbar Volltext