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    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...

    Nicholas M. W. Haggett, Rainer A. Hoffmann, Brendan J. Howlin in Molecular modeling annual (1997)

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    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...

    Ian Hamerton, John N. Hay, Brendan J. Howlin, John R. Jones, Shui-Yu Lu in Polymer Bulletin (1997)

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    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...

    Vivienne L. Larwood, Brendan J. Howlin, Graham A. Webb in Molecular modeling annual (1996)

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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...

    Wojciech Bocian, Jarosław Jaźwínski, Lech Stefaniak in Chemistry of Heterocyclic Compounds (1995)