Search results for "Interaction model"
showing 2 items of 22 documents
Carbonyl compounds of Rh, Ir, and Mt: electronic structure, bonding and volatility
2020
With the aim to render assistance to future experiments on the production and investigation of chemical properties of carbonyl compounds of element 109, Mt, calculations of the molecular properties of M(CO)4 and MH(CO)4, where M = Rh, Ir, and Mt, and of the products of their decomposition, M(CO)3 and MH(CO)3, were performed using relativistic Density Functional Theory and Coupled-Cluster methods implemented in the ADF, ReSpect and DIRAC software suites. According to the results, MH(CO)4 should be formed at experimental conditions from the M atom with a mixture of CO and He gases. The calculated first M–CO bond dissociation energies (FBDE) of Mt(CO)4 and MtH(CO)4 turned out to be significant…
Bacheliers, étudiants et jeunes diplômés : quels systèmes migratoires régionaux ?
2006
Since French Society enters the so-called “Economy of knowledge”, migrations of young people, especially these concerning higher education graduates, are of most interests. Despite the fact that it could help to understand relations between University and work market and ways regions can evolve, the study of migrations of young people was not yet done. A set of results highlights first the main role of French capital region. It shows also main similarities and differencies of migratories' behavior.