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Copper, zinc superoxide dismutase and nitrate reductase coimmobilized bienzymatic biosensor for the simultaneous determination of nitrite and nitrate (2013)
Journal Article
Madasamy, T., Pandiaraj, M., Balamurugan, M., Bhargava, K., Sethy, N. K., & Karunakaran, C. (2014). Copper, zinc superoxide dismutase and nitrate reductase coimmobilized bienzymatic biosensor for the simultaneous determination of nitrite and nitrate. Biosensors and Bioelectronics, 52, 209-215. https://doi.org/10.1016/j.bios.2013.08.036

Proton transfer or hemibonding? The structure and stability of radical cation clusters (2013)
Journal Article
Do, H., & Besley, N. A. (2013). Proton transfer or hemibonding? The structure and stability of radical cation clusters. Physical Chemistry Chemical Physics, 15, https://doi.org/10.1039/C3CP52922C

The basin hopping search algorithm in conjunction with second-order Moller-Plesset perturbation theory is used to determine the lowest energy structures of the radical cation clusters (NH_3)_n^+, (H_2O)_n^+, (HF)_n^+, (PH_3)_n^+, (H_2S)_n^+ and (HCl)... Read More about Proton transfer or hemibonding? The structure and stability of radical cation clusters.

Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides (2013)
Journal Article
Day, J., Uroos, M., Castledine, R. A., Lewis, W., McKeever-Abbas, B., & Dowden, J. (2013). Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides. Organic and Biomolecular Chemistry, 11(38), 6502-6509. https://doi.org/10.1039/c3ob41415a

Cycloaddition reactions between pyridinium ylides and 3-alkenyl oxindoles that proceed in high yield and with very good regio- and diastereoselectivity are reported. The resulting cycloadducts have the same stereochemistry of biologically active oxin... Read More about Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.

Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light (2013)
Journal Article
Garcia, G. A., Nahon, L., Daly, S., & Powis, I. (2013). Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light. Nature Communications, 4(2132), Article 2132. https://doi.org/10.1038/ncomms3132

Electron–nuclei coupling accompanying excitation and relaxation processes is a fascinating phenomenon in molecular dynamics. A striking and unexpected example of such coupling is presented here in the context of photoelectron circular dichroism measu... Read More about Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light.

Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins (2013)
Journal Article
Do, H., Deeth, R. J., & Besley, N. A. (2013). Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins. Journal of Physical Chemistry B, 117(27), https://doi.org/10.1021/jp404107j

The calculation of the electronic circular dichroism (CD) spectra of the oxidised form of the blue copper proteins plastocyanin and cucumber basic protein and the relationship between the observed spectral features and the structure of the active sit... Read More about Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins.

Structure and bonding in ionized water clusters (2013)
Journal Article
Do, H., & Besley, N. A. (2013). Structure and bonding in ionized water clusters. Journal of Physical Chemistry A, 117(25), https://doi.org/10.1021/jp405052g

The structure and bonding in ionized water clusters, (H_2O)n+(n = 3–9), has been studied using the basin hopping search algorithm in combination with quantum chemical calculations. Initially candidate low energy isomers are generated using basin hopp... Read More about Structure and bonding in ionized water clusters.

Palladium nanoparticles on carbon nanotubes as catalysts of cross-coupling reactions (2013)
Journal Article
Cornelio, B., Rance, G. A., Laronze-Cochard, M., Fontana, A., Sapi, J., & Khlobystov, A. N. (in press). Palladium nanoparticles on carbon nanotubes as catalysts of cross-coupling reactions. Journal of Materials Chemistry, 1, https://doi.org/10.1039/C3TA11530E

The macroscopic properties of composite nanotube-nanoparticle superstructures are determined by a complex interplay of structural parameters at the nanoscale. The catalytic performance of different carbon nanotube-palladium nanoparticle catalysts, wh... Read More about Palladium nanoparticles on carbon nanotubes as catalysts of cross-coupling reactions.