Homoatomic cages and clusters of the heavier group 15 elements: neutral species and cations
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A combination of immiscible molecules in the ligand shell of a gold nanoparticle (NP) has been shown to phase separate into a rippled structure; this phase separation can be used to direct the assembly of the NPs into chains. Here we demonstrate that only ...
The aim of this thesis is to get a deeper understanding of magnetic properties of small clusters when they are embedded in a host material. The study was motivated by the observation of the very peculiar properties that clusters present in the gas phase or ...
We report on microscopic observation of solvation by argon atoms of excited states of an ethylenic-like mol., TDMAE (tetrakis dimethylaminoethylene). Two exptl. methods were used: gas phase dynamics for the observation of the evolution through excited stat ...
Cationic zirconocene complexes are active species in Ziegler-Natta catalysis for olefin polymerization. structure and metal-ligand bond strength strongly influence their activity. In the present work, the multiphoton dissociation (IRMPD) spectrum of mass s ...
A combination of time-dependent density functional theory and Born-Oppenheimer molecular dynamics methods is used to investigate fragmentation of doubly charged gas-phase uracil in collisions with 100 keV protons. The results are in good agreement with ion ...
We study the role of network architecture in the formation of synchronous clusters in synaptically coupled networks of bursting neurons. We give a simple combinatorial algorithm that finds the largest synchronous clusters from the network topology. We demo ...
In this paper we study the colour-magnitude relation (CMR) for a sample of 172 morphologically classified elliptical and S0 cluster galaxies from the ESO Distant Cluster Survey (EDisCS) at 0.4 less than or similar to z less than or similar to 0.8. The intr ...
Due to high scaling order of MP2 and CCSD(T) methods, it is either difficult or at times even impossible to treat even moderately sized molecular systems with elaborate basis sets such as aug-cc-pVXZ (X = D, T, Q). In the present work, several structures o ...
Ultrahigh resolution full-field transmission x-ray microscopy enabled us to observe detailed phenomena during the potentiostatic copper electrodeposition on polycrystalline gold. We detected two coexisting cluster populations with different sizes. Their gr ...
Low energy collisions of atomic ions and cluster ions with rare gas covered metal substrates can lead to strong light emission which is element and size specific. Instead of a direct energy transfer into the electronic system of the cluster the observed em ...