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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

Quantum Harmonic Oscillator Spectrum Analyzers. [PDF]

open access: yesPhys Rev Lett, 2021
Keller J   +7 more
europepmc   +1 more source

Scattering of NO Molecules from a Graphite Surface: Selectivity of the Rotational Excitation by Inelastic Collisions

open access: yesChemPhysChem, EarlyView.
Selectivity and propensity have been emphasized for NO molecules scattered from a graphite surface, employing molecular dynamics simulation alongside a new potential energy surface, including an appropriate treatment of the long‐range interaction, governing the formation of the precursor state, that then reacts with the surface.
Maria Rutigliano, Fernando Pirani
wiley   +1 more source

AI‐Enhanced High‐Resolution Functional Imaging Reveals Trap States and Charge Carrier Recombination Pathways in Perovskite

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
We use AI‐enhanced intensity modulation two‐photon excited fluorescence microscopy (ml‐IM2PM) to investigate defect properties and charge carrier recombination in MAPbBr3 films. Mapping exciton generation rate, trap concentration, and trap energy barriers and correlating spatially resolved charge carrier recombination pathways, we identify the ...
Qi Shi, Tönu Pullerits
wiley   +1 more source

Spontaneous variability in gamma dynamics described by a damped harmonic oscillator driven by noise. [PDF]

open access: yesNat Commun, 2022
Spyropoulos G   +12 more
europepmc   +1 more source

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