(Q52903354)

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Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuation.

scientific article published in July 2010

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20527921

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Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuation. (English)

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Michael J G Peach

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1

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Andrew M. Teale

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David J. Tozer

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John A Kattirtzi

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1 July 2010

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Journal of Physical Chemistry A

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20527921

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volume

114

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26

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7179-7186

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DOI

10.1021/JP102465X

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PubMed publication ID

20527921

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9 May 2018

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PubMed publication ID

20527921

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PubMed publication ID

20527921

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9 May 2018

reference URL

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(Q52903354)

Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuation.

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