Ab Initio Calculations of 31P NMR Chemical Shielding Anisotropy Tensors in Phosphates: Variations Due to Ring Formation
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Ab Initio Calculations of P NMR Chemical Shielding Anisotropy Tensors in Phosphates: Variations Due to Ring Formation
Ring formation in phosphate systems is expected to influence both the magnitude and orientation of the phosphorus (P) nuclear magnetic resonance (NMR) chemical shielding anisotropy (CSA) tensor. Ab initio calculations of the P CSA tensor in both cyclic and acyclic phosphate clusters were performed as a function of the number of phosphate tetrahedral in the system. The calculation of the P CSA t...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2002
ISSN: 1422-0067
DOI: 10.3390/i3080888