Ab Initio Calculations of 31P NMR Chemical Shielding Anisotropy Tensors in Phosphates: Variations Due to Ring Formation
Abstract: Ring formation in phosphate systems is expected to influence both the magnitude and orientation of the phosphorus (31P) nuclear magnetic resonance (NMR) chemical shielding anisotropy (CSA) tensor. Ab initio calculations of the 31P CSA tensor in both cyclic and acyclic phosphate clusters we...
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Format: | Article |
Language: | English |
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MDPI AG
2002-08-01
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Series: | International Journal of Molecular Sciences |
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Online Access: | http://www.mdpi.com/1422-0067/3/8/888/ |