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Molecules 2003, 8(11), 770-779; doi:10.3390/81100770
Article

Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

1,* , 1 and 2
1 Institute of Inorganic Chemistry of Slovak Academy of Sciences, Dúbravská cesta 9, Bratislava, Slovak Republic 2 Chemical Institute of Slovak Academy of Sciences, Dúbravská cesta 9, Bratislava, Slovak Republic
* Author to whom correspondence should be addressed.
Received: 21 May 2003 / Revised: 15 October 2003 / Accepted: 20 October 2003 / Published: 15 November 2003
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Abstract

Ab initio and DFT analysis have been used to study of geometry of sulfated monosaccharides GlcN,6-SO3- and IdoA 2-SO3- in solvent. The computed low conformational barrier between the interconverting conformers of the IdoA 2-SO3- residue is in agreement with experimental data.
Keywords: Sulfated monosaccharides; structure; ab initio; DFT; solvent Sulfated monosaccharides; structure; ab initio; DFT; solvent
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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Scholtzová, E.; Mach, P.; Hricovíni, M. Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods. Molecules 2003, 8, 770-779.

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