(Q59465238)

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Nuclear spin–spin coupling constants from regular approximate relativistic density functional calculations. II. Spin–orbit coupling effects and anisotropies

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scholarly article

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Nuclear spin–spin coupling constants from regular approximate relativistic density functional calculations. II. Spin–orbit coupling effects and anisotropies (English)

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Jochen Autschbach

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Jochen Autschbach

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author name string

Tom Ziegler

2

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publication date

December 2000

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number of pages

9

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Journal of Chemical Physics

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113

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21

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9410-9418

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Nuclear spin–spin coupling constants from regular approximate relativistic density functional calculations. I. Formalism and scalar relativistic results for heavy metal compounds

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https://api.crossref.org/works/10.1063%2F1.1321310

21 January 2018

Relativistic four-component calculations of indirect nuclear spin–spin couplings in MH4 (M=C, Si, Ge, Sn, Pb) and Pb(CH3)3H

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https://api.crossref.org/works/10.1063%2F1.1321310

21 January 2018

Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

1 reference

https://api.crossref.org/works/10.1063%2F1.1321310

21 January 2018

Hyperfine fields of 3d and 4d impurities in nickel

1 reference

https://api.crossref.org/works/10.1063%2F1.1321310

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%2F1.1321310

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.1321310

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.1321310

21 January 2018

Experimental and TheoreticalabInitioStudy of the13C−13C Spin−Spin Coupling and1H and13C Shielding Tensors in Ethane, Ethene, and Ethyne

1 reference

https://api.crossref.org/works/10.1063%2F1.1321310

21 January 2018

New operators for electronic density calculation. I. Derivations and formal analysis

1 reference

https://api.crossref.org/works/10.1063%2F1.1321310

21 January 2018

Solvent effects on the NMR parameters of H2S and HCN

1 reference

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21 January 2018

Identifiers

10.1063/1.1321310

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