Probing the binding and activation of small molecules by gas-phase transition metal clusters via IR spectroscopy
A Fielicke - Chemical Society Reviews, 2023 - pubs.rsc.org
Isolated transition metal clusters have been established as useful models for extended metal
surfaces or deposited metal particles, to improve the understanding of their surface …
surfaces or deposited metal particles, to improve the understanding of their surface …
Radiative cooling of size-selected gas phase clusters
Predicted almost forty years ago, the radiation from thermally populated excited electronic
states has recently been recognised as an important cooling mechanism in free molecules …
states has recently been recognised as an important cooling mechanism in free molecules …
Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis through Surface Pre‐melting of Nanoclusters
Due to the superior catalytic activity and efficient utilization of noble metals, nanocatalysts
are extensively used in the modern industrial production of chemicals. The surface …
are extensively used in the modern industrial production of chemicals. The surface …
Modeling on fragmentation of clusters inside a mass spectrometer
E Zapadinsky, M Passananti, N Myllys… - The Journal of …, 2018 - ACS Publications
Atmospheric clusters are weakly bound and can fragment inside the measuring instruments,
in particular, mass spectrometers. Since the clusters accelerate under electric fields, the …
in particular, mass spectrometers. Since the clusters accelerate under electric fields, the …
Thermal radiative cooling of carbon cluster cations CN+, N = 9, 11, 12, 17–27
The radiative cooling rates of C clusters (N= 9, 11, 12, 17–27) have been measured in the
ultrahigh vacuum of an electrostatic storage ring to values on the order of 104 s− 1. The …
ultrahigh vacuum of an electrostatic storage ring to values on the order of 104 s− 1. The …
Monte Carlo potential energy sampling for molecular entropy in zeolites
Zeolites are widely applied as molecular sieves and porous host materials for active sites in
heterogeneous catalysis. Adsorption and reaction kinetics depend critically on the molecular …
heterogeneous catalysis. Adsorption and reaction kinetics depend critically on the molecular …
Resonances in nitrobenzene probed by the electron attachment to neutral and by the photodetachment from anion
M Ranković, P Nag, CS Anstöter… - The Journal of …, 2022 - pubs.aip.org
We probe resonances (transient anions) in nitrobenzene with the focus on the electron
emission from these. Experimentally, we populate resonances in two ways: either by the …
emission from these. Experimentally, we populate resonances in two ways: either by the …
Systematic Investigation of the Structure, Stability, and Spin Magnetic Moment of CrMn Clusters (M = Cu, Ag, Au, and n = 2–20) by DFT Calculations
Binary clusters of transition-metal and noble-metal elements have been gathering
momentum for not only advanced fundamental understanding but also potential as …
momentum for not only advanced fundamental understanding but also potential as …
Effect of conformers on free energies of atmospheric complexes
L Partanen, H Vehkamaki, K Hansen… - The Journal of …, 2016 - ACS Publications
In this article we show how to calculate free energies for atmospherically relevant complexes
when multiple conformers and/or isomers are present. We explain why the thermal …
when multiple conformers and/or isomers are present. We explain why the thermal …
Radiative cooling of carbon cluster anions C2n+1− (n = 3–5)
MH Stockett, JN Bull, JT Buntine, E Carrascosa… - The European Physical …, 2020 - Springer
Radiative cooling of carbon cluster anions C 2n+ 1−(n= 3–5) is investigated using the
cryogenic electrostatic ion storage ring DESIREE. Two different strategies are applied to …
cryogenic electrostatic ion storage ring DESIREE. Two different strategies are applied to …