Results 171 to 180 of about 17,173,630 (326)

Charge State Influence on Stability and Isomerism in Dehydrogenated PAHs: Insights from Anthracene, Acridine, and Phenazine

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The ionization of anthracene, acridine, and phenazine has been explored, along with the removal of one and two hydrogen atoms, to provide valuable information for astrochemists and to understand the behavior of the resulting structures and their electronic reorganization. Abstract In this study, we systematically explored the stability and isomerism of
Khaldia Zghida   +3 more
wiley   +1 more source

Energy Landscapes in Chemical Reactions and Transport

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Kinetics/dynamics of chemical reactivity and transport of chemical species in a solid are both determined by the energy landscape in which they take place. Discussing common grounds but also distinct differences may help in advancing the understanding in both fields.
Karl‐Michael Weitzel
wiley   +1 more source

Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Anisotropy factor spectra for the weak n→π*‐type A‐band of chiral ketones cannot be described within the Franck–Condon approximation. Thus, we present such spectra computed by accounting for Herzberg–Teller corrections and compare them to experiments for fenchone, camphor and 3MCP to describe chiroptical properties of these molecules in the mid to near
Leon A. Kerber   +5 more
wiley   +1 more source

Threshold Photoelectron Spectroscopy of Monosulfur Monofluoride

open access: yesChemPhysChem, EarlyView.
Threshold photoelectron spectroscopy with vacuum ultraviolet synchrotron radiation refines spectroscopic constants and energies of the fundamental monosulfur monofluoride (SF) species. The high accuracy adiabatic ionization energy derived will serve as benchmark for calculation of heat of formation of SF and SF+.
Ugo Jacovella   +7 more
wiley   +1 more source

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