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- R D White, W Tattersall, +8 authors G Garcia
- Applied radiation and isotopes : including data…
- 2014

We present a study of electron and positron transport in water in both the gaseous and liquid states using a Boltzmann equation analysis and a Monte-Carlo simulation technique. We assess the importance of coherent scattering processes when considering transport of electrons/positrons in dense gases and liquids. We highlight the importance of electron and… (More)

- Zoran Lj Petrović, Srdjan Marjanović, +6 authors Michael Brunger
- Applied radiation and isotopes : including data…
- 2014

In this paper we make a parallel between the swarm method in physics of ionized gases and modeling of positrons in radiation therapy and diagnostics. The basic idea is to take advantage of the experience gained in the past with electron swarms and to use it in establishing procedures of modeling positron diagnostics and therapy based on the well-established… (More)

- Wade Tattersall, Luca Chiari, +7 authors James P Sullivan
- The Journal of chemical physics
- 2014

Utilising a high-resolution, trap-based positron beam, we have measured both elastic and inelastic scattering of positrons from water vapour. The measurements comprise differential elastic, total elastic, and total inelastic (not including positronium formation) absolute cross sections. The energy range investigated is from 1 eV to 60 eV. Comparison with… (More)

- Saumitra Saha, Feng Wang, Chantal T Falzon, Michael J Brunger
- The Journal of chemical physics
- 2005

The minimum-energy structures on the torsional potential-energy surface of 1,3-butadiene have been studied quantum mechanically using a range of models including ab initio Hartree-Fock and second-order Møller-Plesset theories, outer valence Green's function, and density-functional theory with a hybrid functional and statistical average orbital potential… (More)

- Zdeněk Mašín, Jimena D Gorfinkiel, Darryl B Jones, Susan M Bellm, Michael J Brunger
- The Journal of chemical physics
- 2012

We present theoretical elastic and electronic excitation cross sections and experimental electronic excitation cross sections for electron collisions with pyrimidine. We use the R-matrix method to determine elastic integral and differential cross sections and integral inelastic cross sections for energies up to 15 eV. The experimental inelastic cross… (More)

- D B Jones, F Wang, D A Winkler, M J Brunger
- Biophysical chemistry
- 2006

Electronic structural signatures of the guanine-7H and guanine-9H tautomers have been investigated on an orbital by orbital basis using dual space analysis. A combination of density functional theory (B3LYP/TZVP), the statistical average of model orbital potentials (SAOP/TZ2P) method and outer valence Green's function theory (OVGF/TZVP) has been used to… (More)

- S Knippenberg, K L Nixon, +5 authors D A Winkler
- The journal of physical chemistry. A
- 2005

Results of a study of the valence electronic structure of norbornene (C(7)H(10)), up to binding energies of 30 eV, are reported. Experimental electron momentum spectroscopy (EMS) and theoretical Green's function and density functional theory approaches were utilized in this investigation. A stringent comparison between the electron momentum spectroscopy and… (More)

- J D Builth-Williams, S M Bellm, +8 authors M J Brunger
- The Journal of chemical physics
- 2013

Triple differential cross section measurements for the electron-impact ionization of the highest occupied molecular orbitals of tetrahydropyran and 1,4-dioxane are presented. For each molecule, experimental measurements were performed using the (e,2e) technique in asymmetric coplanar kinematics with an incident electron energy of 250 eV and an ejected… (More)

- K F Ness, R E Robson, M J Brunger, R D White
- The Journal of chemical physics
- 2012

This paper revisits the issues surrounding computation of electron transport properties in water vapour as a function of E/n(0) (the ratio of the applied electric field to the water vapour number density) up to 1200 Td. We solve the Boltzmann equation using an improved version of the code of Ness and Robson [Phys. Rev. A 38, 1446 (1988)], facilitating the… (More)

- J de Urquijo, E Basurto, +4 authors R D White
- The Journal of chemical physics
- 2014

The drift velocity of electrons in mixtures of gaseous water and helium is measured over the range of reduced electric fields 0.1-300 Td using a pulsed-Townsend technique. Admixtures of 1% and 2% water to helium are found to produce negative differential conductivity (NDC), despite NDC being absent from the pure gases. The measured drift velocities are used… (More)