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 …

Radiative cooling of size-selected gas phase clusters

P Ferrari, E Janssens, P Lievens… - International Reviews in …, 2019 - Taylor & Francis
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 …

Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis through Surface Pre‐melting of Nanoclusters

FQ Gong, YP Liu, Y Wang, WE… - Angewandte Chemie …, 2024 - Wiley Online Library
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 …

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 …

Thermal radiative cooling of carbon cluster cations CN+, N = 9, 11, 12, 17–27

S Iida, W Hu, R Zhang, P Ferrari… - Monthly Notices of …, 2022 - academic.oup.com
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 …

Monte Carlo potential energy sampling for molecular entropy in zeolites

M Jørgensen, L Chen, H Gronbeck - The Journal of Physical …, 2018 - ACS Publications
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 …

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 …

Systematic Investigation of the Structure, Stability, and Spin Magnetic Moment of CrMn Clusters (M = Cu, Ag, Au, and n = 2–20) by DFT Calculations

NT Mai, NT Lan, NT Cuong, NM Tam, ST Ngo… - ACS …, 2021 - ACS Publications
Binary clusters of transition-metal and noble-metal elements have been gathering
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 …

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 …