Ab initio and relativistic DFT study of spin–rotation and NMR shielding constants in XF6 molecules, X = S, Se, Te, Mo, and W-Reference-Cited by-同舟云学术

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Ab initio and relativistic DFT study of spin–rotation and NMR shielding constants in XF6 molecules, X = S, Se, Te, Mo, and W

Published:2014-05-21 Issue:19 Volume:140 Page:194308
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ruud Kenneth,Demissie Taye B.,Jaszuński Michał

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4875696

Reference55 articles.

1. Magnetic Shielding of Nuclei in Molecules

2. Spin—Rotation Interaction and Magnetic Shielding in Molecules

3. Magnetic interactions in molecules and an analysis of molecular electronic charge distribution from magnetic parameters

4. Alternative Approach to the Standardization of NMR Spectra. Direct Measurement of Nuclear Magnetic Shielding in Molecules

5. Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei

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1. Reducing Exact Two-Component Theory for NMR Couplings to a One-Component Approach: Efficiency and Accuracy;J CHEM THEORY COMPUT;2023

2. Reducing Exact Two-Component Theory for NMR Couplings to a One-Component Approach: Efficiency and Accuracy;Journal of Chemical Theory and Computation;2023-03-20

3. A Computational Study on Closed‐Shell Molecular HexafluoridesMF₆(M=S, Se, Te, Po, Xe, Rn, Cr, Mo, W, U) – Molecular Structure, Anharmonic Frequency Calculations, and Prediction of the NdF₆Molecule;ChemPhysChem;2023-03-09

4. Probing Nuclear Dipole Moments and Magnetic Shielding Constants through 3-Helium NMR Spectroscopy;Physchem;2022-04-28

5. Theoretical study of the mechanism of Te (g) + 3F₂ (g)→TeF₆ (g);Molecular Physics;2022-04-04

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