Shape and core-excited resonances in electron scattering from alanine. 2019

Alexandra Loupas, and Jimena D Gorfinkiel
Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Campus de Caparica, Lisboa 2829-516, Portugal.

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.

UI MeSH Term Description Entries

Related Publications

Alexandra Loupas, and Jimena D Gorfinkiel
November 2012, The Journal of chemical physics,
Alexandra Loupas, and Jimena D Gorfinkiel
November 2016, Physical chemistry chemical physics : PCCP,
Alexandra Loupas, and Jimena D Gorfinkiel
December 2016, The Journal of chemical physics,
Alexandra Loupas, and Jimena D Gorfinkiel
November 2017, Physical chemistry chemical physics : PCCP,
Alexandra Loupas, and Jimena D Gorfinkiel
April 1989, Physical review letters,
Alexandra Loupas, and Jimena D Gorfinkiel
May 2008, The journal of physical chemistry. A,
Alexandra Loupas, and Jimena D Gorfinkiel
June 1991, Physical review. B, Condensed matter,
Alexandra Loupas, and Jimena D Gorfinkiel
December 2014, Physical chemistry chemical physics : PCCP,
Alexandra Loupas, and Jimena D Gorfinkiel
November 1993, Physical review. A, Atomic, molecular, and optical physics,
Alexandra Loupas, and Jimena D Gorfinkiel
February 2006, The Journal of chemical physics,
Copied contents to your clipboard!