Decay dynamics in molecular beams

K Hansen - Mass Spectrometry Reviews, 2021 - Wiley Online Library
The phenomenon of power law decays in molecular beams is reviewed. The transition from
a canonical to a microcanonical description of the decay is analyzed, and the appearance of …

PAH growth in flames and space: Formation of the phenalenyl radical

ZD Levey, BA Laws, SP Sundar, K Nauta… - The Journal of …, 2021 - ACS Publications
Polycyclic aromatic hydrocarbons (PAHs) are intermediates in the formation of soot particles
and interstellar grains. However, their formation mechanisms in combustion and interstellar …

How to computationally calculate thermochemical properties objectively, accurately, and as economically as possible

B Chan - Pure and Applied Chemistry, 2017 - degruyter.com
We have developed the W n X series of quantum chemistry composite protocols for the
computation of highly-accurate thermochemical quantities with advanced efficiency and …

Stability and Reactivity of the Phenalene and Olympicene Isomers

LFA Ferrão, MAP Pontes, GFS Fernandes… - The Journal of …, 2023 - ACS Publications
The phenalene (triangulene) and olympicene molecules belong to the polycyclic aromatic
hydrocarbon class, which have attracted substantial technological interest due to their …

[HTML][HTML] Hydrogenation and dehydrogenation reactions of the phenalenyl radical/1H-phenalene system at low temperatures

A Schneiker, IP Csonka, G Tarczay - Chemical Physics Letters, 2020 - Elsevier
Phenalenyl radical was generated in situ in inert matrices by laser UV photolysis of 1H-
phenalene, and was identified by recording laser induced fluorescence and IR spectra …

Action spectroscopy of highly excited molecular ions in molecular beams

K Hansen - International Journal of Mass Spectrometry, 2018 - Elsevier
The use of action spectroscopy for quantitative comparisons of different parts of a recorded
spectrum requires that the efficiency of the emission process after photon absorption is …

Efficient Reaction‐Based Approaches for Gas‐Phase Enthalpy of Formation Prediction and their Application to Large (C32) Polycyclic Aromatic Hydrocarbons

EA Nosach, TP Rozov, AA Otlyotov… - Advanced Theory and … - Wiley Online Library
In this work, an efficient and generally applicable scheme for the automatic generation of the
minimal set of independent model reactions to be used for the calculation of enthalpies of …

[图书][B] Sulfur-and Nitrogen-Substituted Hexa-peri-hexabenzocoronenes

S Mörsel - 2024 - search.proquest.com
These words were part of the talk “There's Plenty of Room at the Bottom”, given by
RICHARD FEYNMAN (1918-1988)(Figure 1 left) at the Caltech on December 29th, 1959, on …

[PDF][PDF] Supporting Information Gas Phase Formation of 1H-Phenalene via 10π-Aromatic, Resonantly Stabilized Free Radical Intermediates

L Zhao, RI Kaiser, W Lu, M Ahmed, AD Oleinikov… - uhmreactiondynamics.org
Figure S1. PIE calibration curves for distinct C13H10 isomers along with their adiabatic
ionization energies: 1H-phenalene (p1; 7.45±0.05 eV), 3H-cyclopenta (a) naphthalene (p2; …