Correlated and gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach-Reference-Cited by-同舟云学术

Correlated and gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach

Published:2003-04-15 Issue:15 Volume:118 Page:6830-6845
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ligabue Andrea,Sauer Stephan P. A.,Lazzeretti Paolo

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1557918

Reference88 articles.

1. Chemical Effects in Nuclear Magnetic Resonance and in Diamagnetic Susceptibility

2. Chemical Effects in Nuclear Magnetic Resonance and in Diamagnetic Susceptibility

3. Théorie quantique des courants interatomiques dans les combinaisons aromatiques

4. Localized orbital/local origin method for calculation and analysis of NMR shieldings. Applications to13C shielding tensors

5. Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization

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