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Figure 1 Clusters with embedded clusters.
For a deep study of cluster composition, it is worth mentioning that when electrons go through an electron transparent specimen with embedded clusters, they carry information not only about the cluster, but also from the matrix.
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J Phys Chem A 2014 118 11620 8. 5. Kast SM, et al. Prediction of tautomer ratios by embedded cluster integral equation theory.
Starting with the q-state Potts model, we extend our implementation to the system of vector spins, the q-state clock model, with the idea of embedded cluster.
In combination with quantum-chemical calculations within the embedded cluster (EC- RISM framEC- RISM] the theory allows frameworking chemical reactions in solution with an accuracy not reached by traditional continuum solvation methods.
Excitation spectra have been calculated using time-dependent density functional theory (TD-DFT) implemented within an embedded cluster method.
Excitation spectra have been calculated using time-dependent density functional theory implemented within an embedded cluster method.
A Pearson correlation threshold of 0.9 was used in the initial analysis and the embedded clustering algorithm (MCL) was used to cluster genes by expression profile.
We have embedded clustering, cataloguing, and cross searches for ligand-receptor pairs, for data visualization, similarity searching, structural comparisons, prediction of chemical properties, and compound clustering.
They used an embedded cluster method to study the reaction pathways of H2O and H2 formation on olivine surfaces using the CI-NEB method.
We present a technique for embedding clusters of atoms, which are to be treated quantum mechanically, in ionic crystals by representing the external lattice by classical lattice-centered Gaussian charge distributions.
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