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    Université de Fribourg

    Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

    Allan, Michael ; Regeta, Khrystyna ; Gorfinkiel, Jimena D. ; Mašín, Zdeněk ; Grimme, Stefan ; Bannwarth, Christoph

    In: The European Physical Journal D, 2016, vol. 70, no. 5, p. 1–7

    The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet...

    Université de Fribourg

    Shape and core-excited resonances in thiophene

    Loupas, Alexandra ; Regeta, Khrystyna ; Allan, Michael ; Gorfinkiel, Jimena D.

    In: The Journal of Physical Chemistry A, 2018, vol. 122, no. 4, p. 1146–1155

    We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio R-matrix method. Absolute differential cross sections for electron impact excitation up to 18 eV and for two scattering angles, 90 and 135°, have been measured. Agreement between the calculated and measured experimental cross sections is...

    Université de Fribourg

    Absolute cross sections for electronic excitation of pyrimidine by electron impact

    Regeta, Khrystyna ; Allan, Michael ; Mašín, Zdeněk ; Gorfinkiel, Jimena D.

    In: The Journal of Chemical Physics, 2016, vol. 144, no. 2, p. 024302

    We measured differential cross sections for electron-impact electronic excitation of pyrimidine, both as a function of electron energy up to 18 eV, and of scattering angle up to 180°. The emphasis of the present work is on recording detailed excitation functions revealing resonances in the excitation process. The differential cross sections were summed to obtain integral cross sections. These...

    Université de Fribourg

    Resonance effects in elastic cross sections for electron scattering on pyrimidine: Experiment and theory

    Regeta, Khrystyna ; Allan, Michael ; Winstead, Carl ; McKoy, Vincent ; Mašín, Zdeněk ; Gorfinkiel, Jimena D.

    In: The Journal of Chemical Physics, 2016, vol. 144, no. 2, p. 024301

    We measured differential cross sections for elastic (rotationally integrated) electron scattering on pyrimidine, both as a function of angle up to 180∘ at electron energies of 1, 5, 10, and 20 eV and as a function of electron energy in the range 0.1–14 eV. The experimental results are compared to the results of the fixed-nuclei Schwinger variational and R-matrix theoretical methods, which...