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Calculation of electric field strengths at a sharp edge (1968)
Journal Article
Brailsford, D. F., & Robertson, A. J. B. (1968). Calculation of electric field strengths at a sharp edge

Sharp edges were first used for field ionisation mass spectrometry by Beckey. Although Cross and Robertson found that etched metal foils were more effective than razor blades for field ionisation, blades are very convenient for determination of field... Read More about Calculation of electric field strengths at a sharp edge.

Structural optimization of molecular clusters with density functional theory combined with basin hopping
Journal Article
Do, H., & Besley, N. A. Structural optimization of molecular clusters with density functional theory combined with basin hopping. Journal of Chemical Physics, 137(13), Article 134106. https://doi.org/10.1063/1.4755994

Identifying the energy minima of molecular clusters is a challenging problem. Traditionally, search algorithms such as simulated annealing, genetic algorithms, or basin hopping are usually used in conjunction with empirical force fields. We have impl... Read More about Structural optimization of molecular clusters with density functional theory combined with basin hopping.

Measuring proton shift tensors with ultrafast MAS NMR
Journal Article
Miah, H. K., Bennett, D. A., Iuga, D., & Titman, J. J. Measuring proton shift tensors with ultrafast MAS NMR. Journal of Magnetic Resonance, 235, https://doi.org/10.1016/j.jmr.2013.07.005

A new proton anisotropic-isotropic shift correlation experiment is described which operates with ultrafast MAS, resulting in good resolution of isotropic proton shifts in the detection dimension. The new experiment makes use of a recoupling sequence... Read More about Measuring proton shift tensors with ultrafast MAS NMR.

A generic π* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers
Journal Article
Staniforth, M., Daly, S., Reid, K. L., & Powis, I. A generic π* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers. Journal of Chemical Physics, 139(6), Article 064304. https://doi.org/10.1063/1.4817324

We present new evidence for the existence of a near threshold π* shape resonance as a common feature in the photoionization of each isomer of difluorobenzene. Experimentally this is revealed by significant changes in the anisotropy of the photoelectr... Read More about A generic π* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers.