Explanipedia

Convolutional neural network approach to ion Coulomb crystal image analysis Open

John F. Allsopp, Jake A. Diprose, Brianna R. Heazlewood, C. Zagorec-Marks, H. J. Lewandowski , et al. · 2025

This paper reports on the use of a convolutional neural network methodology to analyze fluorescence images of calcium-ion Coulomb crystals in the gas phase. A transfer-learning approach is adopted using the publicly available RESNET50 mode…

Competition between electron transfer and reactive capture in ion–molecule reactions at low collision energies: isotopic and stereodynamic effects in the reactions of CH3F with H2+, HD+ and D2+ Open

Raphaël Hahn, David Schlander, Jeremy O. Richardson, T. P. Softley, F. Merkt · 2025

The bimolecular reactions between CH 3 F and H 2 + , HD + and D 2 + have been studied in the range of collision energies between ∼0 and k B × 30 K using a merged-beam approach.

Sensitive Low-Recoil VUV 1 + 1′ REMPI Detection of ND3 Open

Stach Kuijpers, P. Kalaitzis, Evangelia Sakkoula, Sebastiaan Y. T. van de Meerakker, T. P. Softley , et al. · 2024

In molecular beam scattering experiments, an important technique for measuring product energy and angular distributions is velocity map imaging following photoionization of one or more scattered species. For studies with cold molecular bea…

To form or not to form a reaction complex: exploring ion–molecule reactions between C3H4 isomers and Xe+ and O2+ Open

C. Zagorec-Marks, G. Stephen Kocheril, O. A. Krohn, Trevor Kieft, A. Karpinska , et al. · 2024

Ion–molecule reactions are an essential contributor to the chemistry of a diverse range of environments. Here we study the effects of isomeric structure and ionic character on the ion–molecule reaction between C 3 H 4 isomers and Xe + and …

Capture theory models: An overview of their development, experimental verification, and applications to ion–molecule reactions Open

Andriana Tsikritea, Jake A. Diprose, T. P. Softley, Brianna R. Heazlewood · 2022

Since Arrhenius first proposed an equation to account for the behavior of thermally activated reactions in 1889, significant progress has been made in our understanding of chemical reactivity. A number of capture theory models have been de…

Reply to: Inconsistent kinetic isotope effect in ammonia charge exchange reaction measured in a Coulomb crystal and in a selected-ion flow tube Open

Lorenzo S. Petralia, Andriana Tsikritea, Jérôme Loreau, T. P. Softley, Brianna R. Heazlewood · 2022

Towards chemistry at absolute zero Open

Brianna R. Heazlewood, T. P. Softley · 2021

Inverse kinetic isotope effects in the charge transfer reactions of ammonia with rare gas ions Open

Andriana Tsikritea, K. Park, Paul Bertier, Jérôme Loreau, T. P. Softley , et al. · 2021

Inverse kinetic isotope effects are observed in the charge transfer reactions of rare gas ions with ammonia molecules.

Strong inverse kinetic isotope effect observed in ammonia charge exchange reactions Open

Lorenzo S. Petralia, Andriana Tsikritea, Jérôme Loreau, T. P. Softley, Brianna R. Heazlewood · 2020

Multi-photon ionisation spectroscopy for rotational state preparation of $${{\bf{N}}}_{{\bf{2}}}^{{\boldsymbol{+}}}$$ Open

Amy Gardner, T. P. Softley, Matthias Keller · 2019

(Ultra)cold ion-neutral collisions for new (astro)chemistry Open

Michal Hejduk, Neville J. A. Coughlan, Jutta Toscano, Lorenzo S. Petralia, Andriana Tsikritea , et al. · 2018

Zeeman deceleration beyond periodic phase space stability Open

Jutta Toscano, Atreju Tauschinsky, Katrin Dulitz, Chris Rennick, Brianna R. Heazlewood , et al. · 2017

In Zeeman deceleration, time-varying spatially inhomogeneous magnetic fields are used to create packets of translationally cold, quantum-state-selected paramagnetic particles with a tuneable forward velocity, which are ideal for cold react…

Using a direct simulation Monte Carlo approach to model collisions in a buffer gas cell Open

Maximilian Doppelbauer, Otto Schullian, Jérôme Loreau, Nathalie Vaeck, Ad van der Avoird , et al. · 2017

A direct simulation Monte Carlo (DSMC) method is applied to model collisions between He buffer gas atoms and ammonia molecules within a buffer gas cell. State-to-state cross sections, calculated as a function of the collision energy, enabl…

Measurement of the orientation of buffer-gas-cooled, electrostatically-guided ammonia molecules Open

Edward W. Steer, Lorenzo S. Petralia, Colin M. Western, Brianna R. Heazlewood, T. P. Softley · 2016

Resonant charge transfer of hydrogen Rydberg atoms incident at a metallic sphere Open

Jemma A. Gibbard, T. P. Softley · 2016

The charge transfer (ionization) of hydrogen Rydberg atoms (principal quantum number $n=25-34$) incident at a Cu(100) surface is investigated. Unlike fully metallic surfaces, where the Rydberg electron energy is degenerate with the conduct…

Velocity-selected magnetic guiding of Zeeman-decelerated hydrogen atoms Open

Katrin Dulitz, T. P. Softley · 2016

\n An original design of magnetic guide is presented, suitable for use with\n Zeeman-decelerated supersonic beams of ground-state hydrogen atoms and other light\n paramagnetic species. Three-dimensional particle trajectory simulations show…

Special issue on atomic and molecular collision mechanisms Open

T. P. Softley, Michel Herman, Nathalie Vaeck · 2015

Announcement of the winner of the Longuet-Higgins Early Career Researcher Prize 2014 Open

T. P. Softley · 2015

Simulating rotationally inelastic collisions using a direct simulation Monte Carlo method Open

Otto Schullian, Jérôme Loreau, Nathalie Vaeck, Ad van der Avoird, Brianna R. Heazlewood , et al. · 2015

\n Contains fulltext :\n 150414.pdf (Author’s version preprint ) (Open Access)\n

Resonant Charge Transfer of Hydrogen Rydberg Atoms Incident on a Cu(100) Projected Band-Gap Surface Open

Jemma A. Gibbard, Mark Dethlefsen, Mike Kohlhoff, Chris Rennick, E. So , et al. · 2015

The charge transfer (ionization) of hydrogen Rydberg atoms (n=25-34) incident on a Cu(100) surface is investigated. Unlike fully metallic surfaces, where the Rydberg electron energy is degenerate with the conduction band of the metal, the …

Ionization of Rydberg H atoms at band-gap metal surfaces via surface and image states Open

E. So, Jemma A. Gibbard, T. P. Softley · 2015

Wavepacket propagation calculations are reported for the interaction of a Rydberg hydrogen atom with Cu(111) and Cu(100) surfaces (represented by a Chulkov potential), in comparison with a Jellium surface. Both copper surfaces have a proje…

A compact design for a magnetic synchrotron to store beams of hydrogen atoms Open

Aernout P. P. van der Poel, Katrin Dulitz, T. P. Softley, Hendrick L. Bethlem · 2015

We present a design for an atomic synchrotron consisting of 40 hybrid magnetic hexapole lenses arranged in a circle. We show that for realistic parameters, hydrogen atoms with a velocity up to 600 m s-1 can be stored in a 1 m diameter ring…

Ionization of Rydberg H atoms at band-gap metal surfaces via surface and image states Open

E. So, Jemma A. Gibbard, T. P. Softley · 2015

Wavepacket propagation calculations are reported for the interaction of a Rydberg hydrogen atom ($n=2-8)$ with Cu(111) and Cu(100) surfaces (represented by a Chulkov potential), in comparison with a Jellium surface. Both copper surfaces ha…

Coulomb crystal mass spectrometry in a digital ion trap Open

Nabanita Deb, Laura L. Pollum, Alexander D.H. Smith, Matthias Keller, Chris Rennick , et al. · 2015

We present a mass spectrometric technique for identifying the masses and relative abundances of Coulomb-crystallized ions held in a linear Paul trap. A digital radiofrequency waveform is employed to generate the trapping potential, as this…

A compact design for a magnetic synchrotron to store beams of hydrogen atoms Open

Aernout P. P. van der Poel, Katrin Dulitz, T. P. Softley, Hendrick L. Bethlem · 2015

We present a design for an atomic synchrotron consisting of 40 hybrid magnetic hexapole lenses arranged in a circle. We show that for realistic parameters, hydrogen atoms with a velocity up to 600 m/s can be stored in a 1-meter diameter ri…

A compact design for a magnetic synchrotron to store beams of hydrogen\n atoms Open

Aernout P. P. van der Poel, Katrin Dulitz, T. P. Softley, Hendrick L. Bethlem · 2015

We present a design for an atomic synchrotron consisting of 40 hybrid\nmagnetic hexapole lenses arranged in a circle. We show that for realistic\nparameters, hydrogen atoms with a velocity up to 600 m/s can be stored in a\n1-meter diameter…

Model for the overall phase-space acceptance in a Zeeman decelerator Open

Katrin Dulitz, Nicolas Vanhaecke, T. P. Softley · 2015

We present a new formalism to calculate phase-space acceptance in a Zeeman\ndecelerator. Using parameters closely mimicking previous Zeeman deceleration\nexperiments, this approach reveals a hitherto unconsidered velocity dependence\nof th…

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