A potential origin of homochirality in living organisms is the parity-violating energy difference between enantiomers. Here, the authors realize a technique to control rotational states of chiral molecules using microwave and ultraviolet radiation. JuHyeon Lee , Elahe Abdiha & Sandra Eibenberger-Arias...
Interestingly, in the PR, C11 and C12 are totally the LUMO and the HOMO, respectively, and have a large electronegativity difference, which predicts an electron jump in these atoms during photoexcitation. At the same time, the PR showed a longer bond length and lower bond order, with a ...
Quantization of Differences Between Atomic and Nuclear Rest Masses and Selforganization of Atoms and Nuclei F.A. Gareev, & I.E. Zhidkova, "Quantization of difference between Atomic and Nuclear rest masses and self-organization of atoms and nuclei," (2006) http://arxiv.org/PS_cache/nucl-th/...
The difference in nuclear mass has almost no effect on the structure of their electron shells, which depends on the charge of the nucleus Z. The chemical properties and the majority of physical properties (optical, electrical, and magnetic) which are determined by the structure of the electron ...
In the present article, we show how to formulate the partially contracted n-electron valence second-order perturbation theory (NEVPT2) energies in the atomic and active molecular orbital basis by employing the Laplace transformation of orbital-energy denominators (OEDs). As atomic-orbital (AO) basi...
Each peak can be seen as a molecular orbital. Therefore, we can obtain the approximate electronic structures of the anion cluster using this method. Because each anion cluster has a unique electronic structure, we can easily distinguish the difference of each isomer by their DOS spectra. This ...
(Bandwidth is the difference in energy between the lowest and the highest MO.) For the polyene, the band will be half-filled, and so the chain could exhibit metallic behavior if the level spacing is ≪kBT. Similarly, each atom of an alkali metal contributes one electron from its highest...
This corresponds to a ∼ 10% frequency difference between Ω and ω, which is notably larger than the typical stirrer anisotropy needed to set a gas in rotation. This ensures that the preparation of the giant vortex state with L = LLau should be rather robust....
Fig. 1: Schematic illustration of the design and construction for COF-205-Ru and the crossed π-conjugation. aThe crossed π-conjugation system in COF-205-Ru.bLocal charge density difference analysis in COF building block.cSchematic molecular orbital energy diagram for COF-205-Ru and RuO2toward...
In this figure, the set of sp orbitals appears similar in shape to the original p orbital, but there is an important difference. The number of atomic orbitals combined always equals the number of hybrid orbitals formed. The p orbital is one orbital that can hold up to two electrons. The ...