Relativistic multireference configuration interaction calculations are carried out on the low-lying electronic states of the CUO molecule at linear geometries. The results of these and previous CUO calculations are discussed on the basis of the natures of these states and the advantages and ...
the electronic configuration of hydrogen (H) with one electron is 1s^1; the electronic configuration of helium (He) with two electrons is 1s^2; the electronic configuration of lithium (Li) with three electrons is 1s^2 2s^1; and
2.(Electronics) of or concerned with electronics 3.(General Physics) of or concerned with electrons or an electron:an electronic energy level in a molecule. 4.(Electronics) involving or concerned with the representation, storage, or transmission of information by electronic systems:electronic mail;...
Electronic excitations of a single molecule contacted in a three-terminal configuration 来自 国家科技图书文献中心 喜欢 0 阅读量: 24 作者: Osorio, Edgar A., O\"Neill, Kevin, Wegewijs, Maarten, Stuhr-Hansen, Nicolai, Paaske, Jens, Bj?rnholm, Thomas, van der Zant, Herre S. J. 展开 ...
Afterwards, the valence bond theory and molecular orbital theory have been developed successively to explore the structure and properties of materials42,43. One of the most important corollaries of these electronic theories, is that the stable electronic configuration of common covalent compounds 1State...
Complex charge density waves in simple electronic systems of two-dimensional III2–VI3materials This study introduces a family of multiple charge-density-wave orders in 2D III2–VI3materials, including the chiral Star-of-David configuration. The charge-density-wave transitions involve both m...
An 'Excited Electronic State' refers to a new chemical species of a molecule with different properties from its ground state, resulting from light excitation that modifies the electronic structure. These states are responsible for photochemical reactions and deactivation processes. ...
The theoretical study on the potential energy curves for X1Σ+, A1Π and C1Σ- states of SiO molecule This paper applies thesymmetry-adapted-cluster/symmetry-adapted-clusterconfiguration-interaction (SAC/SAC-CI) method to optimize thestructures for X∑, A∏... 徐国亮,吕文静,刘玉芳,... - 《...
Spectroscopic methods combined with density functional calculations are used to develop a detailed bonding description of the μ4-sulfide bridged tetranuclear CuZ cluster in N2O reductase. The ground state of CuZ has the 1CuII/3CuI configuration. The single electron hole dominantly resides on one Cu...
Electrons and their interactions are intrinsic factors to affect the structure and properties of materials. Based on the “cluster-cluster-plus-glue-atom” model, an electron counting rule for complex metallic alloys (CMAs) has been revealed in this work