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Shape and core-excited resonances in electron scattering from alanine. | LitMetric

Shape and core-excited resonances in electron scattering from alanine.

J Chem Phys

School of Physical Sciences, The Open University, Walton Hall, Milton Keynes MK7 6AA, United Kingdom.

Published: February 2019

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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Source
http://dx.doi.org/10.1063/1.5081813DOI Listing

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