(Q51758642)

11 April 2018

title

Four-component relativistic theory for nuclear magnetic shielding: magnetically balanced gauge-including atomic orbitals. (English)

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author

Wenjian Liu

series ordinal

3

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11 April 2018

author name string

Lan Cheng

series ordinal

1

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11 April 2018

Yunlong Xiao

series ordinal

2

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language of work or name

English

0 references

publication date

1 December 2009

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11 April 2018

Journal of Chemical Physics

published in

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volume

131

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issue

24

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page(s)

244113

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11 April 2018

The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms

cites work

1 reference

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.

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation.

21 January 2018

1 reference

Time-dependent four-component relativistic density functional theory for excitation energies.

21 January 2018

1 reference

Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation.

21 January 2018

1 reference

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

21 January 2018

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

DIRAC–FOCK ATOMIC ELECTRONIC STRUCTURE CALCULATIONS USING DIFFERENT NUCLEAR CHARGE DISTRIBUTIONS

21 January 2018

1 reference

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

21 January 2018

1 reference

Atomic Susceptibilities and Shielding Factors

21 January 2018

1 reference

19 October 2022

https://opencitations.net/index/coci/api/v1/citations/10.1103/PHYSREV.187.39

Identifiers

DOI

10.1063/1.3283036

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11 April 2018

release_msnnn44qp5ebhacl3jcc4iq32y

Fatcat ID

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Fatcat

https://api.fatcat.wiki/v0/release/msnnn44qp5ebhacl3jcc4iq32y

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

11 April 2018