"Gold standard" coupled-cluster study of acetylene pentamers and hexamers via molecular tailoring approach
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An HMM-based speaker clustering framework is presented, where the number of speakers and segmentation boundaries are unknown \emph{a priori}. Ideally, the system aims to create one pure cluster for each speaker. The HMM is ergodic in nature with a minimum ...
An HMM-based speaker clustering framework is presented, where the number of speakers and segmentation boundaries are unknown \emph{a priori}. Ideally, the system aims to create one pure cluster for each speaker. The HMM is ergodic in nature with a minimum ...
In nanocatalysis, clusters deposited on solid, well-defined surfaces play an important role. For the detection of size effects it is, however, important to prepare samples consisting of deposited clusters of a single size, as their chemical properties chan ...
We have investigated the deposition at zero impact kinetic energy of the Ag atom and clusters (Ag/sub 7/,Ag/sub 19/) on the (100) and (111) surfaces of Pd by molecular dynamics simulations performed within the embedded atom-method scheme. Our results eluci ...
The energy levels of (TiO2)2, (TiO2)3, and (TiO2H)2 clusters were calcd. using ab initio SCF methods considering both crystal and relaxed geometries. Systematic changes in the valence-level resulting from geometry relaxation are found, which may be related ...
We briefly summarize with 14 refs. trends in the structural and electronic properties of small clusters of Na, Mg and Si. In particular, the validity of the spherical jellium picture is discussed and the applicability of the concepts used to classify magic ...
Equilibrium geometries and electronic properties of neutral and anionic Cu-n (n = 2, 10) clusters are determined via first-principles calculations which treat s and d electrons on an equal footing. We find cluster shapes similar to those reported in the li ...
We study size-selected deposition of Ag/sub 19//sup +/ clusters on Pd(100) at total kinetic energies of 20 and 95 eV using thermal energy atom scattering and molecular-dynamics simulations. Contrary to the case of Ag/sub 7/ where fragmentation is crucial t ...
Mass selected Ag/sub n/ clusters (n=1,7,19) from a secondary ion source have been deposited onto a Pt(111) substrate at low temperature. The surface and resulting cluster morphology have subsequently been characterized within the same UHV chamber by variab ...
Equilibrium geometries and electronic properties of neutral Cu-n (n = 2, 3, 4, 6, 8, 10) clusters are determined via first principles calculations which treat s and d electrons on an equal footing. Overall, we find ground state and local minimum structures ...
