Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS‐QB3 composite method and their consequences in DFT benchmark …
Accurate barrier heights are obtained for the 26 pericyclic reactions in the BHPERI dataset
by means of the high‐level Wn‐F12 thermochemical protocols. Very often, the complete …
by means of the high‐level Wn‐F12 thermochemical protocols. Very often, the complete …
The role of ion‐molecule reactions in the growth of heavy ions in Titan's ionosphere
Abstract The Ion and Neutral Mass Spectrometer (INMS) and Cassini Plasma Spectrometer
(CAPS) have observed Titan's ionospheric composition and structure over several targeted …
(CAPS) have observed Titan's ionospheric composition and structure over several targeted …
Ionic species in a naphthalene plasma: understanding fragmentation patterns and growth of PAHs
The role of polycyclic aromatic hydrocarbons (PAHs) in the interstellar medium (ISM) is a key
question in astrophysics. Moreover, our limited understanding of the plasma-driven …
question in astrophysics. Moreover, our limited understanding of the plasma-driven …
Mid-infrared high-resolution dual-comb spectroscopy: Intensity, broadening, and beyond-Voigt parameters of 12C2H2 and 13C12CH2 lines
Using a high-resolution mid-infrared dual-comb spectrometer operating in the 1300 cm− 1
spectral region, spectra of acetylene were recorded at room temperature. Spectroscopic …
spectral region, spectra of acetylene were recorded at room temperature. Spectroscopic …
Formation pathways of polycyclic aromatic hydrocarbons (PAHs) in butane or butadiene flames
T Zhang, G Mu, S Zhang, J Hou - RSC advances, 2021 - pubs.rsc.org
The reaction pathways from phenyl radicals to phenanthrene (A3) and pyrene (A4) via C2H3
and C4H4 additions were investigated using the G3 (MP2, CC) method. Rate constants of …
and C4H4 additions were investigated using the G3 (MP2, CC) method. Rate constants of …
Direct evidence for a single-step radiation-induced assembling of benzene ring from acetylene trimer at cryogenic temperatures
MA Lukianova, VI Feldman - Radiation Physics and Chemistry, 2021 - Elsevier
The discovery of carbon-rich species, including polycyclic aromatic hydrocarbons (PAH) and
fullerenes, in the space environment is among the most intriguing findings in molecular …
fullerenes, in the space environment is among the most intriguing findings in molecular …
Experimental study of Pluto's atmosphere and aerosols
L Jovanovic - 2021 - theses.hal.science
On July 14th, 2015, NASA's New Horizons spacecraft flew by Pluto, revealing a complex
atmosphere and surface seen nowhere else in the Solar System. Pluto's surface ices are …
atmosphere and surface seen nowhere else in the Solar System. Pluto's surface ices are …
[PDF][PDF] Investigation of Interstellar Dust Emission in the Infrared-Microwave Range with All-sky Surveys
AC Bell - (No Title), 2018 - repository.dl.itc.u-tokyo.ac.jp
1.1 An example of a potential makeup of microwave emission components. Photometry
points are extracted from the Planck and WMAP all-sky maps (Planck Collaboration et al …
points are extracted from the Planck and WMAP all-sky maps (Planck Collaboration et al …