Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor (Q609583)

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scientific article; zbMATH DE number 5822026
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Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor
scientific article; zbMATH DE number 5822026

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    Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor (English)
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    1 December 2010
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    quantum chemistry
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    magnetic properties of molecules
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    nuclear shielding tensor
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    Fourier integral transformations
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    extrapolation methods
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    nonlinear transformations
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    numerical integration
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