(Q51050464)

27 March 2018

title

Towards the versatile DFT and MP2 computational schemes for 31P NMR chemical shifts taking into account relativistic corrections. (English)

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3

Leonid B Krivdin

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author name string

Sergey V Fedorov

series ordinal

1

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Yury Yu Rusakov

series ordinal

2

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publication date

22 August 2014

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Magnetic Resonance in Chemistry

published in

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volume

52

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issue

11

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page(s)

699-710

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Recent advances in wave function-based methods of molecular-property calculations

cites work

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21 January 2018

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

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21 January 2018

1 reference

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21 January 2018

1 reference

Ab initio characterization of XH3 (X = N,P). Part II. Electric, magnetic and spectroscopic properties of ammonia and phosphine

21 January 2018

1 reference

Stereoselective addition of dimethyl thiophosphite to imines

21 January 2018

1 reference

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21 January 2018

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21 January 2018

1 reference

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21 January 2018

1 reference

NMR nomenclature. Nuclear spin properties and conventions for chemical shifts (IUPAC Recommendations 2001)

21 January 2018

1 reference

Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)

21 January 2018

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

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/MRC.4122

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