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Article
Molecular Modelling of Six-Ring Agarose Chains: Effects of Explicit and Implicit Solvent
A study on the molecular dynamics of agarose-type oligosaccharide chains in water is presented. In the field of molecular modelling one is able to use either explicit water molecules or a representative bulk d...
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Article
Probing the cure of 13C labelled bisphenol A dicyanate ester in carbon fibre reinforced composites using solid state 13C NMR, SEM and FTIR
We report a study of the curing mechanism of 13C labelled bisphenol A dicyanate ester in the presence of a electrolytically surface treated XAS carbon fibre using several techniques — solid state 13C NMR, scannin...
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Article
Solvation Effects on the Conformational Behaviour of Gellan and Calcium Ion Binding to Gellan Double Helices
The contribution of the presence of solvent to the conformations adopted by disaccharide fragments within the repeat unit of gellan have been studied by molecular modelling techniques. Initial conformational e...
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Article
Multinuclear magnetic resonance study of some mesoionic oxatriazoles containing nitrogenous exocyclic groups
1H,13C,14N and15N NMR measurements are reported for four mesoionic 1-oxa-2, 3, 4-triazoles containing exocyclic nitrogenous groups. The NMR signal assignments are discussed and compared with those previously pub...