Some ab-initio valence-bond wave-functions are reported for the 蟺-electrons of the ground-states of O3, NO2, and CH2N2. Examination of these wave-functions provides further support for the hypothesis that, for the ground-states of many electron-excess molecules, important valence-bond ...
Some ab-initio valence-bond wave-functions are reported for the π-electrons of the ground-states of O3, NO2, and CH2N2. Examination of these wave-functions provides further support for the hypothesis that, for the ground-states of many electron-excess molecules, important valence-bond structur...
I. The π-electrons of O3, NO2, and CH2N2 Some ab-initio valence-bond wave-functions are reported for the 蟺-electrons of the ground-states of O3, NO2, and CH2N2. Examination of these wave-functions provides further support for the hypothesis that, for the ground-states of many ....
in this region shows that the electronic dynamics does not change the angular distribution function of the rescattered electrons. However, the total signal of the rescattered electrons modulates in time with approximately the same contrast as the total signal. We thus conclude that the electronic ...
This procedure was used in a recent valence-bond study of asym N2O3. The results of the calculations show that the NF lengthening for FNO2 arises from the delocalization of oxygen lone-pair electrons into the AOs of the NF σ bond, whereas this effect and the presence of a "bent" NF ...
www.nature.com/scientificreports OPEN Dressed jeff‑1/2 objects in mixed‑valence lacunar spinel molybdates Thorben Petersen 1*, Lilian Prodan 2, Korbinian Geirhos 2,3, Hiroyuki Nakamura 4, István Kézsmárki 2* & Liviu Hozoi 1* The lacunar-spinel ...
I. The π-electrons of O3, NO2, and CH2N2 Some ab-initio valence-bond wave-functions are reported for the 蟺-electrons of the ground-states of O3, NO2, and CH2N2. Examination of these wave-functions provides further support for the hypothesis that, for the ground-states of many .....
Reactions of Cp2W2Ir2(CO)10(1) with terminal arylalkynes HCCR afford the complexes Cp2W2Ir2(μ4-η2-HC2R)(μ-CO)4(CO)4 [R = Ph (3), C6H4Me-4 (4), C6H4NO2-4 (5)] in excellent yields (5670%). The analogous adduct with the terminal alkylalk... SMW And,MG Humphrey,VA...
The RIXS map of PuO2 and a simplified one-electron scheme describing the emission process are shown in Fig. 2. The 3d5/2 electrons are mainly excited to the unoccupied states with substantial 5f character (3d5/2-5f); the orbital angular momentum quantum number l changes ±1, according to...
The absence of any signs of the molecular-related states of the 2p nonbonding lone pair electrons in the range of 0–1 eV in the experimental VB spectra was attributed to the adsorption of the water molecules. Owing to the lone pair electrons of the hydroxyls and epoxides participating in ...