Search Results - Do, Hainam

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  1. 1
    Structural optimization of molecular clusters with density functional theory combined with basin hopping

    Structural optimization of molecular clusters with density functional theory combined with basin hopping by Do, Hainam, Besley, Nicholas A.

    Published 2012
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  2. 2
    Structure and bonding in ionized water clusters

    Structure and bonding in ionized water clusters by Do, Hainam, Besley, Nicholas A.

    Published 2013
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  3. 3
    Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond

    Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond by Do, Hainam, Besley, Nicholas A.

    Published 2012
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  4. 4
    Proton transfer or hemibonding? The structure and stability of radical cation clusters

    Proton transfer or hemibonding? The structure and stability of radical cation clusters by Do, Hainam, Besley, Nicholas A.

    Published 2013
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  5. 5
    Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials

    Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials by Do, Hainam, Besley, Nicholas A.

    Published 2014
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  6. 6
    Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins

    Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins by Do, Hainam, Deeth, Robert J., Besley, Nicholas A.

    Published 2013
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  7. 7
    Force fields for macromolecular assemblies containing Diketopyrrolopyrrole and Thiophene

    Force fields for macromolecular assemblies containing Diketopyrrolopyrrole and Thiophene by Jiang, Ling, Rogers, David M., Hirst, Jonathan D., Do, Hainam

    Published 2020
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  8. 8
    Calculation of high-order virial coefficients for the square-well potential

    Calculation of high-order virial coefficients for the square-well potential by Do, Hainam, Feng, Chao, Schultz, Andrew J., Kofke, David A., Wheatley, Richard J.

    Published 2016
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  9. 9
    A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study

    A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study by Enujekwu, Francis M., Ezeh, Collins I., George, Michael W., Xu, Mengxia, Do, Hainam, Zhang, Yue, Zhao, Haitao, Wu, Tao

    Published 2019
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  10. 10
    Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides

    Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides by Segatta, Francesco, Rogers, David M., Dyer, Naomi T., Guest, Ellen E., Li, Zhuo, Do, Hainam, Nenov, Artur, Garavelli, Marco, Hirst, Jonathan D.

    Published 2021
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  11. 11
    A review of biohydrogen productions from lignocellulosic precursor via dark fermentation: perspective on hydrolysate composition and electron-equivalent balance

    A review of biohydrogen productions from lignocellulosic precursor via dark fermentation: perspective on hydrolysate composition and electron-equivalent balance by Liu, Yiyang, Min, Jingluo, Feng, Xingyu, He, Yue, Liu, Jinze, Wang, Yixiao, He, Jun, Do, Hainam, Sage, Valérie, Yang, Gang, Sun, Yong

    Published 2020
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