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Ab initio dynamics and photoionization mass spectrometry reveal ion–molecule pathways from ionized acetylene clusters to benzene cation

The growth mechanism of hydrocarbons in ionizing environments, such as the interstellar medium (ISM), and some combustion conditions remains incompletely understood. Ab initio molecular dynamics (AIMD) simulations and molecular beam vacuum-UV (VUV) photoionization mass spectrometry experiments were...

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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Stein, Tamar, Bandyopadhyay, Biswajit, Troy, Tyler P., Fang, Yigang, Kostko, Oleg, Ahmed, Musahid, Head-Gordon, Martin
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5448212/
https://ncbi.nlm.nih.gov/pubmed/28484019
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1616464114
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