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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.

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DOI (Digital Object Identifier) Link: https://doi.org/10.1063/1.5081813
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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.

Item Type: Journal Item
Copyright Holders: 2019 The Authors
ISSN: 0021-9606
Project Funding Details:
Funded Project NameProject IDFunding Body
Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT)PD/00193/2012FCT/UNL
Not SetUID/Multi/04378/2013 (UCIBIO)Fundação para a Ciência e a Tecnologia (FCT-MEC)
Not SetUID/FIS/00068/2013 (CEFITEC)Fundação para a Ciência e a Tecnologia (FCT-MEC)
Scholarship Grant to A.LoupasSFRH/BD/106031/2015Fundação para a Ciência e a Tecnologia (FCT-MEC)
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Research Group: Physics
Item ID: 59126
Depositing User: Jimena Gorfinkiel
Date Deposited: 14 Feb 2019 11:07
Last Modified: 12 Jun 2020 11:18
URI: http://oro.open.ac.uk/id/eprint/59126
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