Buscar
Mostrando ítems 1-10 de 3096
On the location of the electron lone pair of XeF6 and related molecules
(Elsevier, 2003)
Theoretical results based on the use of the electron localization function confirmed, for the first time, the predictions of the valence shell electron pair repulsion model about the electron lone pair on the XeF6 and ...
Metastable electron-pair states in a two-dimensional crystal
(Institute of Physics - IOPBristol, 2014)
We study possible quantum states of two correlated electrons in a twodimensional periodic potential and find a metastable energy band of electron pairs between the two lowest singleelectron bands. These metastable states ...
Localization and Impact of Pb-Non-Bonded Electronic Pair on the Crystal and Electronic Structure of Pb2YSbO6
(American Chemical Society, 2014-05)
The synthesis and crystal structure evolution of the double perovskite Pb2YSbO6 is reported for the first time. The structure has been analyzed in the temperature range between 100 and 500 K by using a combination of ...
Absence of Cooper-type bound states in three- and few-electron systems
(1998-12-01)
It is shown that the appearance of a fixed-point singularity in the kernel of the two-electron Cooper problem is responsible for the formation of the Cooper pair for an arbitrarily weak attractive interaction between two ...
Absence of Cooper-type bound states in three- and few-electron systems
(1998-12-01)
It is shown that the appearance of a fixed-point singularity in the kernel of the two-electron Cooper problem is responsible for the formation of the Cooper pair for an arbitrarily weak attractive interaction between two ...
Topology of the effectively paired and unpaired electron densities for complex bonding patterns: The three-center two-electron bonding case
(American Chemical Society, 2009-12)
Our previously reported local formalism of the electron density decomposition into effectively paired and unpaired densities is applied to electron deficient molecular systems possessing complex bonding patterns. It is ...
Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions
(American Institute of Physics, 2014-05)
Two-electron three-center bonding interactions in organic ions like methonium (CH
+
5
), ethonium (C2H
+
7
), and protonated alkanes n−C4H
+
11
isomers (butonium cations) are described and characterized within ...