A comparative study of the calculation of 59Co NMR shielding constants of hexacoordinated diamagnetic Co(III) complexes using DFT-IGLO and DFT-GIAO methods-Reference-Cited by-同舟云学术

A comparative study of the calculation of 59Co NMR shielding constants of hexacoordinated diamagnetic Co(III) complexes using DFT-IGLO and DFT-GIAO methods

Published:1997-04 Issue:1-3 Volume:393 Page:93-96
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Chan Jerry C.C.,Au-Yeung Steve C.F.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference41 articles.

1. SOS-DFPT-IGLO calculations of 59Co NMR shielding parameters of hexacoordinated diamagnetic Co(III) complexes

2. Nuclear Magnetic Resonance Shielding Tensors Calculated with a Sum-over-States Density Functional Perturbation Theory

3. Density-functional exchange-energy approximation with correct asymptotic behavior

4. Density-functional approximation for the correlation energy of the inhomogeneous electron gas

5. Some indo parameterised MO calculations of cobalt nuclear shielding in some diamagnetic hexacoordinate cobalt(III) complexes

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