Shape and core-excited resonances in electron scattering from alanine

Loupas, Alexandra and Gorfinkiel, Jimena D. (2019). Shape and core-excited resonances in electron scattering from alanine. The Journal of Chemical Physics, 150(6), article no. 064307.

DOI: https://doi.org/10.1063/1.5081813

Abstract

We present detailed ab initio scattering calculations using the R-matrix method for electron collisions with the most stable conformer of α-alanine. The shape resonances that we identify are in good agreement with earlier calculations and experiments. Core-excited and mixed-character resonances are identified and characterized computationally for the first time. Dissociative electron attachment results are discussed in relation to the resonances identified.

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