The reality of the electron pair as a fundamental unit in the electronic structure of molecular systems is evidenced by calc~llations which show that the most probable partitioning of a system is the one which localizes pairs of electrons in well-defined spatial regions or loges. The loges in turn, correspond to those regions of space generally associated with core, bonded, and nonbonded electrons. In terms of information theory, they yield the maximum amount of information concerning the localizability of the electrons. The most probable three-loge partitioning of the six-electron BH(XIZ+) system, for example, is dominated by the event which places two electrons in each of three loges, the location and shape of the loges being such as to justify the labelling of the electron pairs they localize as core, bonded and nonbonded. Since the loges are defined in real space and are totally nonoverlapping, one may define the volume of space occupied by pairs of electrons. In BH, for example, the volume of space required to contain 95% of the nonbonded pair of electrons is over two times larger than that required to contain 95% of the bonded pair. It is possible to define core loges which exhibit pair occupation probabilities ranging in value from 95% in LiH+ to 85% in BH. Corresponding probabilities ranging in value from 7 5 z to 90% are obtained for bonded and nonbonded loges. In the set of molecules studied here, the occurrence of events with such high probabilities is found only for loges which rnaximire the probability of a pair occupation.Le fait qile le doublet tlectronique est une unit6 fondamentale de la structure tlectronique de systemes moleculaires est Ctabli par des calculs qili rnontrent que la repartition la plus probable d'un systeme est celle qui localise les doublets Clectroniques dans des regions de I'espace bien definies 011 loges. Les loges aux electrons lies 011 non-lies, a leur tour correspondent a ces regions de I'espace generalement associees au noyau. Par rapport aux donnees de la theorie, on obtient le maximum de renseignements concernant la maniere de localiser les electrons. La repartition la plus probable en trois loges des six electrons du systtme BH ( X I Z + ) par exernple, est dominee par le cas qui place deux electrons dans chacune des trois loges; I'emplacement et la forme des loges sont tels qu'ils justifient la denomination des doublets electroniques, lies ou non-lies, et qu'ils les localisent comme noyau. Puisque les loges sont definies dans un espace reel et sont entierement sans recouvrement, on peut definir le volume de I'espace occupe par les doublets Clectroniques. Pour BH par exemple, le volume de I'espace necessaire pour contenir 95% dd'n doublet &lectronique non-lie depasse en importance, deux fois celui qui est necessaire pour contenir 95% d'un doublet electronique lit. 11 est possible de dtfinir des loges du noyau qui prtsentent des possibilites d'occupation d'un doublet de valeurs allant de 95% dans le L i H + a 85% dans le BH. Des probabilitks similaires de valeurs allan...
The importance of the correlations existing between the positions of electrons in atoms and molecules has recently been stressed. A new method for the study of these correlations is presented here. It consists in the decomposition of the space of an electronic system into small parts where there is a very large probability of finding one and only one electron of a given spin. This method allows the association of spherical rings to the shells of atoms and the association of space to the atomic core and to the bonds of molecules.
Dans cet article, on montre la possibilité théorique d'existence d'un type nouveau de désintégration β. On étudie, en se plaçant toujours d'un point de vue entièrement théorique, les particularités qui caractériseraient le phénomène
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.