TURBOMOLE is a highly optimized software suite for large-scale quantum-chemical and
materials science simulations of molecules, clusters, extended systems, and periodic solids …

The concept of coupling a nanometer or subnanometer scale oxide phase to a metal surface
to form a metal–oxide hybrid material with novel properties is an attractive approach in the …

Cryogenic ion trap vibrational spectroscopy paired with quantum chemistry currently
represents the most generally applicable approach for the structural investigation of …

Context. Aluminium oxide (alumina; Al 2 O 3) is a promising candidate as a primary dust
condensate in the atmospheres of oxygen-rich evolved stars. Therefore, alumina …

Context. The condensation of inorganic dust grains in the winds of evolved stars is poorly
understood. As of today, it is not yet known which molecular clusters form the first dust grains …

The elucidation of formation mechanisms is mandatory for understanding and planning of
synthetic routes. For (bio-) organic and organometallic compounds, this has long been …

Genetic algorithms (GAs) are a tool used to solve high-complexity computational problems.
Apart from modelling the phenomena occurring in Nature, they help in optimization …

Cerium oxide cluster cations (CemOn+, m= 2–16; n= 2m, 2m±1 and 2m±2) are prepared by
laser ablation and reacted with carbon monoxide (CO) and small hydrocarbon molecules …

This article summarizes the methodological progress that has been made in the vibrational
spectroscopy of isolated polynuclear metal oxide clusters, with particular emphasis on free …

Structural information for neutral magnesium oxide clusters has been obtained by a
comparison of their experimental vibrational spectra with predictions from theory.(MgO) n …