Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation (ZORA) for relativistic effects: ZORA nuclear magnetic resonance-Reference-Cited by-同舟云学术

Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation (ZORA) for relativistic effects: ZORA nuclear magnetic resonance

Published:1999-04-22 Issue:16 Volume:110 Page:7689-7698
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Wolff S. K.,Ziegler T.,van Lenthe E.,Baerends E. J.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.478680

Reference46 articles.

1. Relativistic regular two‐component Hamiltonians

2. Exact solutions of regular approximate relativistic wave equations for hydrogen‐like atoms

3. Relativistic total energy using regular approximations

4. Four component regular relativistic Hamiltonians and the perturbational treatment of Dirac’s equation

5. Calculation of NMR Shielding Tensors Using Gauge-Including Atomic Orbitals and Modern Density Functional Theory

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