Search Results - Holroyd, Leo F.

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  1. 1
    Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and water

    Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and water by Holroyd, Leo F, van Mourik, Tanja

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  2. 2
    Insufficient description of dispersion in B3LYP and large basis set superposition errors in MP2 calculations can hide peptide conformers

    Insufficient description of dispersion in B3LYP and large basis set superposition errors in MP2 calculations can hide peptide conformers by Holroyd, Leo F., van Mourik, Tanja

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  3. 3
    A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structure

    A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structure by Smith, Darren A, Holroyd, Leo F, van Mourik, Tanja, Jones, Anita C

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  4. 4
    Tyrosine-glycine revisited: Resolving the discrepancy between theory and experiment

    Tyrosine-glycine revisited: Resolving the discrepancy between theory and experiment by Holroyd, Leo F., van Mourik, Tanja

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  5. 5
    Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and waterThe research data supporting this publication can be accessed at http://dx.doi.org/10.17630/e784629e-5794-4135-8299-a49c64991a9cElectronic supplementary information (ESI) available: Methodological details; description of scans; tables with geometrical parameters and interaction energies of all optimised minima and transition states; Cartesian coordinates of optimised minima and tra

    Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and waterThe research data supporting this publication can be accessed at... by Holroyd, Leo F, van Mourik, Tanja

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  6. 6
    Stacking of the mutagenic DNA base analog 5-bromouracil

    Stacking of the mutagenic DNA base analog 5-bromouracil by Holroyd, Leo F., van Mourik, Tanja

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