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- W2011894734 abstract "The experimental electron density distribution in taurine, 2-aminoethane sulfonic acid, 1, has been determined from high-resolution X-ray diffraction data collected at a temperature of 100 K. Taurine crystallizes as a zwitterion in the monoclinic space group P2(1)/c. Topological analysis of the experimental electron density and a comparison with high-level theoretical gas-phase calculations show that the crystal environment has a significant influence on the electronic configuration of the sulfonate moiety in 1, which in the crystal is more delocalized than in the gas phase. This crystal effect is mainly due to hydrogen bonding." @default.
- W2011894734 created "2016-06-24" @default.
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- W2011894734 date "2003-02-07" @default.
- W2011894734 modified "2023-10-17" @default.
- W2011894734 title "Experimental and Theoretical Charge Density Study of the Neurotransmitter Taurine" @default.
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- W2011894734 doi "https://doi.org/10.1002/chem.200390100" @default.
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