Delocalization of Electrons in the Dodecahedrane Cage—A D 2h -Symmetrical 4c-3e Radical Cation as a Structural Borderline CaseCashCash flow statementConnotative meaningFinancial reportingInternational accounting standardsMeasurement of meaningSemantic differentialPubMed comprises more than 22 million citations...
The values of distinct maxima of the delocalization indices, corresponding to regions within inner shells, are quite remarkable and related to the number of the electrons in each shell quantitatively. The physical meaning of these values is that the sharing of the core electrons in each shell ...
Core electrons are described by Troullier–Martins pseudo potentials, and the valence electron states are expanded in plane waves with a reciprocal space plane wave cutoff of 90 Ry. The dimers are centered in the simulation box, and a vacuum of 4 Å was applied in each dimension. ...
The purpose of this paper is to review what it is possible nowadays to say about space-time behaviour of electrons in atoms and molecules. In the first chapter the wave conception of the electron is criticized and the poverty of the non reductionist attitude is underlined. In the second ...