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Segatta, Francesco, Rogers, David M., Dyer, Naomi T., Guest, Ellen E., Li, Zhuo, Do, Hainam, Nenov, Artur, Garavelli, Marco and Hirst, Jonathan D. (2021) Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides. Molecules, 26 (2). p. 396. ISSN 1420-3049

Jiang, Ling, Rogers, David M., Hirst, Jonathan D. and Do, Hainam (2020) Force fields for macromolecular assemblies containing Diketopyrrolopyrrole and Thiophene. Journal of Chemical Theory and Computation, 16 (8). pp. 5150-5162. ISSN 1549-9618

Liu, Yiyang, Min, Jingluo, Feng, Xingyu, He, Yue, Liu, Jinze, Wang, Yixiao, He, Jun, Do, Hainam, Sage, Valérie, Yang, Gang and Sun, Yong (2020) A review of biohydrogen productions from lignocellulosic precursor via dark fermentation: perspective on hydrolysate composition and electron-equivalent balance. Energies, 13 (10). p. 2451. ISSN 1996-1073

Enujekwu, Francis M., Ezeh, Collins I., George, Michael W., Xu, Mengxia, Do, Hainam, Zhang, Yue, Zhao, Haitao and Wu, Tao (2019) A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study. Nanoscale Advances . ISSN 2516-0230

Do, Hainam, Feng, Chao, Schultz, Andrew J., Kofke, David A. and Wheatley, Richard J. (2016) Calculation of high-order virial coefficients for the square-well potential. Physical Review E, 94 (1). 013301/1-013301/5. ISSN 1550-2376

Do, Hainam and Besley, Nicholas A. (2014) Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials. Physical Chemistry Chemical Physics, 17 (5). pp. 3898-3908. ISSN 1463-9076

Do, Hainam and Besley, Nicholas A. (2013) Proton transfer or hemibonding? The structure and stability of radical cation clusters. Physical Chemistry Chemical Physics, 15 . pp. 16214-16219. ISSN 1463-9076

Do, Hainam, Deeth, Robert J. and Besley, Nicholas A. (2013) Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins. Journal of Physical Chemistry B, 117 (27). pp. 8105-8112. ISSN 1520-52707

Do, Hainam and Besley, Nicholas A. (2013) Structure and bonding in ionized water clusters. Journal of Physical Chemistry A, 117 (25). pp. 5385-5391. ISSN 1089-5639

Do, Hainam and Besley, Nicholas A. (2012) Structural optimization of molecular clusters with density functional theory combined with basin hopping. Journal of Chemical Physics, 137 (13). 134106/1-134106/9. ISSN 0021-9606

Do, Hainam and Besley, Nicholas A. (2012) Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond. Journal of Physical Chemistry A, 116 (33). pp. 8507-8514. ISSN 1089-5639