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Ab Initio Molecular Dynamics of Temporary Anions Using Complex Absorbing Potentials
[Image: see text] Dissociative electron attachment, that is, the cleavage of chemical bonds induced by low-energy electrons, is difficult to model with standard quantum-chemical methods because the involved anions are not bound but subject to autodetachment. We present here a new computational devel...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9486942/ https://www.ncbi.nlm.nih.gov/pubmed/36054015 http://dx.doi.org/10.1021/acs.jpclett.2c01969 |