(Q59455166)

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Perturbationalab initiocalculations of relativistic contributions to nuclear magnetic resonance shielding tensors

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Perturbationalab initiocalculations of relativistic contributions to nuclear magnetic resonance shielding tensors (English)

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Perttu Lantto

2

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Juha Vaara

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Juha Vaara

series ordinal

3

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Kenneth Ruud

object named as

Kenneth Ruud

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4

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Pekka Manninen

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1

object named as

Pekka Manninen

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language of work or name

English

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publication date

August 2003

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published in

Journal of Chemical Physics

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volume

119

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issue

5

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page(s)

2623-2637

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cites work

Relativistic effects in structural chemistry

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Quadratic response calculations of the electronic spin-orbit contribution to nuclear shielding tensors

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Molecular relativistic calculations of the electric field gradients at the nuclei in the hydrogen halides

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties

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reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

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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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Relativistic, nearly basis-set-limit nuclear magnetic shielding constants of the rare gases He–Rn: A way to absolute nuclear magnetic resonance shielding scales

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https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Study of relativistic effects on nuclear shieldings using density-functional theory and spin–orbit pseudopotentials

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

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

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Relativistic Effects for NMR Shielding Constants in Transition Metal Oxides Using the Zeroth-Order Regular Approximation

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Crossref

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https://api.crossref.org/works/10.1063%2F1.1586912

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21 January 2018

Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators

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https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Linear and nonlinear response functions for an exact state and for an MCSCF state

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reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Multiconfigurational quadratic response functions for singlet and triplet perturbations: The phosphorescence lifetime of formaldehyde

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Crossref

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https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Relativistic and correlation effects on molecular properties. II. The hydrogen halides HF, HCl, HBr, HI, and HAt

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https://api.crossref.org/works/10.1063%2F1.1586912

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21 January 2018

An electronic Hamiltonian for origin independent calculations of magnetic properties

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reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals

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reference URL

https://api.crossref.org/works/10.1063%2F1.1586912

retrieved

21 January 2018

Identifiers

DOI

10.1063/1.1586912

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(Q59455166)

Perturbationalab initiocalculations of relativistic contributions to nuclear magnetic resonance shielding tensors

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