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Density Functional Study of H-D Coupling Constants in Heavy Metal Dihydrogen and Dihydride Complexes:  The Role of Geometry, Spin-Orbit Coupling, and Gradient Corrections in the Exchange-Correlation Kernel

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Description scientific article published in July 2005
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author: Jochen Autschbach  Serguei Patchkovskii 

Publication date July 1, 2005
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