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Unified description of H-atom–induced chemicurrents and inelastic scattering

The Born–Oppenheimer approximation (BOA) provides the foundation for virtually all computational studies of chemical binding and reactivity, and it is the justification for the widely used “balls and springs” picture of molecules. The BOA assumes that nuclei effectively stand still on the timescale...

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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Kandratsenka, Alexander, Jiang, Hongyan, Dorenkamp, Yvonne, Janke, Svenja M., Kammler, Marvin, Wodtke, Alec M., Bünermann, Oliver
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5789910/
https://ncbi.nlm.nih.gov/pubmed/29311297
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1710587115
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