We report the first coupled-cluster study of Auger decay in heavy metals. The zinc atom is
used as a case study due to its relevance to the Auger emission properties of the 67Ga …

We present an ab initio computational study of the Auger spectra of methane, ethane,
ethylene, and acetylene. Auger spectroscopy is an established technique to probe the …

We present an ab initio computational study of the Auger electron spectrum of benzene.
Auger electron spectroscopy exploits the Auger–Meitner effect, and although it is …

The vibronic coupling effect in nitrogen 1 s x-ray photoelectron spectra was systematically
studied for a family of 17 bicyclic indole molecules by combining Franck-Condon simulations …

Dissociative photoionization of quinoline induced by vacuum ultraviolet radiation is
investigated using photoelectron–photoion coincidence spectroscopy. Branching ratios of all …

Solvent interactions, particularly hydration, are vital in chemical and biochemical systems.
Model systems reveal microscopic details of such interactions. We uncover a specific …

Electronic and vibrational spectroscopic studies of molecules are of crucial importance to
characterizing a molecule and detecting the molecular species in different environments. In …

We report a combination of quantum mechanical calculations and a range of spectroscopic
measurements in the gas phase of N, N-diethylhydroxylamine, an important scavenger …

We present ab initio calculations of the resonant Auger spectrum of benzene. In the resonant
process, Auger decay ensues following the excitation of a core-level electron to a virtual …

We report the first gas phase comprehensive study of the electronic spectroscopy of 2, 7-
diazaindole molecule in the ground and excited states. Single vibronic level fluorescence …