Publications co-authored with David Rogers

9. Segatta, F., Rogers, D.M., Dyer, N.T., Guest, E.E., Li, Z., Do, H., Nenov, A., Garavelli, M., Hirst, J.D., Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides. Molecules, 26, 396 (2021).
DOI: http://dx.doi.org/10.3390/molecules26020396

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8. Jiang, L., Rogers, D.M., Hirst, J.D. & Do, H., Force fields for macromolecular assemblies containing diketopyrrolopyrrole and thiophene. J. Chem. Theor. Comput., 16, 5150–5162 (2020).
DOI: http://dx.doi.org/10.1021/acs.jctc.0c00399

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7. Hanson-Heine, M.W.D., Rogers, D.M., Woodward, S. & Hirst, J.D. , Dewar benzene ground states found in cyclacene nanobelts. J. Phys. Chem. Lett., 11, 3769–3772 (2020).
DOI: http://dx.doi.org/10.1021/acs.jpclett.0c01027
6. Rogers, D.M, Jasim, S.B, Dyer, N.T, Auvray, F, Rèfrègiers, M, Hirst, J.D., Electronic circular dichroism of proteins. Chem, 5, 2751–2774 (2019).
DOI: http://dx.doi.org/10.1016/j.chempr.2019.07.008
5. Rogers, D.M., Hirst, J.D., Lee, E.P.F. & Wright, T.G., Ab Initio Study of the Toluene Dimer. Chem. Phys. Lett., 427, 410–413 (2006).
DOI: http://dx.doi.org/10.1016/j.cplett.2006.07.022

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4. Rogers, D.M., Besley, N.A., O'Shea, P. & Hirst, J.D., Modeling the Absorption Spectrum of Tryptophan in Proteins. J. Phys. Chem. B, 109, 23061–23069 (2005).
DOI: http://dx.doi.org/10.1021/jp053309j
3. Rogers, D.M. & Hirst, J.D., First Principles Calculations of Protein Circular Dichroism in the Near-Ultraviolet. Biochemistry, 43, 11092–11102 (2004).
DOI: http://dx.doi.org/10.1021/bi049031n

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2. Rogers, D.M. & Hirst, J.D., Calculations of Protein Circular Dichroism from First Principles. Chirality, 16, 234–243 (2004).
DOI: http://dx.doi.org/10.1002/chir.20018
1. Rogers, D.M. & Hirst, J.D., Ab Initio Studies of Aromatic Side-Chains in Gas Phase and Solution. J. Phys. Chem. A, 107, 11191–11200 (2003).
DOI: http://dx.doi.org/10.1021/jp036081d