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Stannaborate Transition Metal Chemistry: Ligand Properties, Reactivity, and Density Functional Theory Calculations of Platinum and Palladium Complexes

โœ Scribed by Thiemo Marx; Lars Wesemann; Stefanie Dehnen; Ingo Pantenburg


Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
199 KB
Volume
7
Category
Article
ISSN
0947-6539

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Calculation of NMR shielding tensors bas
โœ Georg Schreckenbach; Tom Ziegler ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 253 KB ๐Ÿ‘ 1 views

This article deals with the calculation of the shielding tensor of nuclear magnetic ลฝ . resonance NMR spectroscopy based on a scalar relativistic two-component Pauli-type Hamiltonian. A complete formulation of the method within the framework of the gauge ลฝ . including atomic orbitals GIAO is given.