Quality testing of spectrum-based distance descriptors for polycyclic aromatic hydrocarbons with applications to carbon nanotubes and nanocones
نویسندگان
چکیده
منابع مشابه
Threshold energies for single-carbon knockout from polycyclic aromatic hydrocarbons.
We have measured absolute cross sections for ultrafast (femtosecond) single-carbon knockout from polycyclic aromatic hydrocarbon (PAH) cations as functions of He–PAH center-of-mass collision energy in the 10–200 eV range. Classical molecular dynamics (MD) simulations cover this range and extend up to 105 eV. The shapes of the knockout cross sections are well-described by a simple analytical exp...
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ژورنال
عنوان ژورنال: Arabian Journal of Chemistry
سال: 2021
ISSN: 1878-5352
DOI: 10.1016/j.arabjc.2021.102994