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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...

Täydet tiedot

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Bibliografiset tiedot
Julkaisussa:Proc Natl Acad Sci U S A
Päätekijät: Stein, Tamar, Bandyopadhyay, Biswajit, Troy, Tyler P., Fang, Yigang, Kostko, Oleg, Ahmed, Musahid, Head-Gordon, Martin
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: National Academy of Sciences 2017
Aiheet:
Linkit: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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