(Q51890839)

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A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equation.

scientific article published in March 2008

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scholarly article

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equation. (English)

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

Stanislav Komorovsky

1

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

2

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

Vladimir G Malkin

4

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

6

object named as

Martin Kaupp

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

author name string

Olga L Malkina

3

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

Irina Malkin Ondík

5

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Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

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publication date

1 March 2008

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Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

Journal of Chemical Physics

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17 April 2018

http://europepmc.org/abstract/MED/18345871

128

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17 April 2018

http://europepmc.org/abstract/MED/18345871

10

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17 April 2018

http://europepmc.org/abstract/MED/18345871

104101

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Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

Spin-orbit-induced anomalous pH-dependence in (1)H NMR spectra of Co(III) amine complexes: a diagnostic tool for structure elucidation

1 reference

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21 January 2018

Resolution of identity Dirac-Kohn-Sham method using the large component only: Calculations of g-tensor and hyperfine tensor.

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory.

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule".

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Relativistic effects on the nuclear magnetic shieldings of rare-gas atoms and halogen in hydrogen halides within relativistic polarization propagator theory

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Four-component relativistic theory for nuclear magnetic shielding constants: critical assessments of different approaches.

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Spin densities in two-component relativistic density functional calculations: noncollinear versus collinear approach.

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Relativistic two-component calculations of electronic g-tensors that include spin polarization

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Four-component relativistic theory for nuclear magnetic shielding constants: the orbital decomposition approach.

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Scalar relativistic calculations of hyperfine coupling tensors using the Douglas-Kroll-Hess method with a finite-size nucleus model

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Magnetic Balance and Explicit Diamagnetic Expressions for Nuclear Magnetic Resonance Shielding Tensors

1 reference

https://api.crossref.org/works/10.1063%2F1.2837472

21 January 2018

Identifiers

10.1063/1.2837472

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/18345871

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