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Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach (2014)
Journal Article
Teale, A. M., De Proft, F., Geerlings, P., & Tozer, D. J. (2014). Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach. Physical Chemistry Chemical Physics, 16(28), https://doi.org/10.1039/C3CP54528H

The essential aspects of zero-temperature grand-canonical ensemble density-functional theory are reviewed in the context of spin-density-functional theory and are used to highlight the assumption of symmetry between electron addition and subtraction... Read More about Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach.

Molecular dynamic simulations of the elastic and inelastic surface scattering of nanoparticles (2014)
Journal Article
Stace, A. J. (2014). Molecular dynamic simulations of the elastic and inelastic surface scattering of nanoparticles. Physical Chemistry Chemical Physics, 16(7), 3077-3086. https://doi.org/10.1039/c3cp54571g

Molecular dynamics calculations have been undertaken to simulate the collision of a solid, rotating nanoparticle with a planar, two-dimensional surface at thermal velocities (linear and rotational) equivalent to 500 K. During the course of a collisio... Read More about Molecular dynamic simulations of the elastic and inelastic surface scattering of nanoparticles.

Exceptional gravimetric and volumetric hydrogen storage for densified zeolite templated carbons with high mechanical stability (2014)
Journal Article
Mokaya, R., & Masika, E. (2014). Exceptional gravimetric and volumetric hydrogen storage for densified zeolite templated carbons with high mechanical stability. Energy and Environmental Science, 7(1), 427-434. https://doi.org/10.1039/c3ee42239a

Zeolite templating successfully generates carbons with high surface area and pore volume of ca. 3300 m2 g−1 and 1.6 cm3 g−1, respectively. The templated carbons have an exceptional gravimetric hydrogen uptake of 7.3 wt% at 20 bar and −196 °C, and a p... Read More about Exceptional gravimetric and volumetric hydrogen storage for densified zeolite templated carbons with high mechanical stability.

Synthesis of toxyloxanthone B (2014)
Journal Article
Giallombardoa, D., Nevin, A. C., Lewis, W., Nawrat, C. C., Kitson, R. R., & Moody, C. J. (2014). Synthesis of toxyloxanthone B. Tetrahedron, 70(6), https://doi.org/10.1016/j.tet.2013.12.055

A synthesis of the naturally occurring xanthone toxyloxanthone B is described, in which the key step is the regioselective addition of a methyl salicylate to a substituted benzyne followed by cyclization of the intermediate aryl anion to form the xan... Read More about Synthesis of toxyloxanthone B.

High pressure studies of palladium and platinum thioether macrocyclic dihalide complexes (2014)
Journal Article
Schröder, M. (2014). High pressure studies of palladium and platinum thioether macrocyclic dihalide complexes. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, B70, https://doi.org/10.1107/S2052520614008786

The mononuclear macrocyclic Pd(II) complex cis-[PdCl2([9 aneS3)] ([9]aneS3 = 1,4,7-trithiacyclononane) converts at 44 kbar into an intensely coloured chain polymer exhibiting distorted octahedral co-ordination at the metal centre and an unprecedented... Read More about High pressure studies of palladium and platinum thioether macrocyclic dihalide complexes.

Fullerenes as adhesive layers for mechanical peeling of metallic, molecular and polymer thin films (2014)
Journal Article
Wieland, M. B., Slater, A. G., Mangham, B., Champness, N. R., & Beton, P. H. (2014). Fullerenes as adhesive layers for mechanical peeling of metallic, molecular and polymer thin films. Beilstein Journal of Nanotechnology, 5, https://doi.org/10.3762/bjnano.5.46

We show that thin films of C60 with a thickness ranging from 10 to 100 nm can promote adhesion between a Au thin film deposited on mica and a solution-deposited layer of the elastomer polymethyldisolaxane (PDMS). This molecular adhesion facilitates t... Read More about Fullerenes as adhesive layers for mechanical peeling of metallic, molecular and polymer thin films.

Studies on metal-organic frameworks of Cu(II) with isophthalate linkers for hydrogen storage (2014)
Journal Article
Yan, Y., Yang, S., Blake, A. J., & Schröder, M. (2014). Studies on metal-organic frameworks of Cu(II) with isophthalate linkers for hydrogen storage. Accounts of Chemical Research, 47(2), https://doi.org/10.1021/ar400049h

Hydrogen (H2) is a promising alternative energy carrier due to its environmental benefits, high energy density and its abundance. However, development of a practical storage system to enable the “Hydrogen Economy” remains a huge challenge. Metal-orga... Read More about Studies on metal-organic frameworks of Cu(II) with isophthalate linkers for hydrogen storage.

Electrochemical Biosensors for Hypoxia Markers (2014)
Book Chapter
Karunakaran, C., Madasamy, T., Pandiaraj, M., Sethy, N. K., & Bhargava, K. (2014). Electrochemical Biosensors for Hypoxia Markers. In Translational Research in Environmental and Occupational Stress (93-107). Springer India. https://doi.org/10.1007/978-81-322-1928-6_9

An inadequate oxygen supply to cells/tissues causes hypoxia at high altitude, resulting in alteration in the levels of nitric oxide (NO) and its metabolites, viz. nitrite (NO2 −) and nitrate (NO3 −) and simultaneous increase in the formation of perox... Read More about Electrochemical Biosensors for Hypoxia Markers.