Relativistic Effect on 77Se NMR Chemical Shifts of Various Selenium Species in the Framework of Zeroth-Order Regular Approximation-Reference-Cited by-同舟云学术

Relativistic Effect on 77Se NMR Chemical Shifts of Various Selenium Species in the Framework of Zeroth-Order Regular Approximation

Published:2011-07-18 Issue:31 Volume:115 Page:8721-8730
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Nakanishi Waro¹,Hayashi Satoko¹,Katsura Yoshifumi¹,Hada Masahiko²

Affiliation:

1. Department of Material Science and Chemistry, Faculty of Systems Engineering, Wakayama University, 930 Sakaedani, Wakayama 640-8510, Japan

2. Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachioji-shi, Tokyo 192-0397, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp202278f

Reference80 articles.

1. Nuclear Magnetic Shieldings and Molecular Structure

2. Calculation of NMR and EPR Parameters

3. Theoretical study of the metal chemical shift in nuclear magnetic resonance spectroscopy. Manganese complexes

4. σpand σdare exactly expressed by the Ramsey’s Equation, and they are approximately calculated in the framework of the Hartree–Fock (HF) and DFT theory:

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