Toro-Labbe, Reaction force and electron localization function analysis of the metal chelation process in Mg(II)-thymine complex, Chem. Phys. Lett. 438 (2007) 93-98.Rincon E, Toro-Labbe A (2007) Chem Phys Lett 43
On this regard, a similar situation is found in the F2 molecule where the topological analysis of the Becke and Edgecombe localization function (ELF) enables an unambigous characterization of the F–F bond as covalent [26]. Table 1. Geometrical and topological data for M2(formamidinate)4 ...
Electron localization functionLocalized orbitalsChemical bondingBoron clustersA series of small planar boron clusters has extensively been studied in the past using different theoretical approximations, and their chemical bonding has been rationalized in terms of aromaticity, antiaromaticity and conflicting ...
Localization and function of Arf family GTPases 碳纳米管的电子能带结构和态密度研究 Investigating the electron band structure and density of states of Carbon Nanotubes Principle Components Discriminant Function Analysis Electron Density Functional Theory - The Fritz Haber Center … Localization from Mere Co...
(red) surfaces. Inc, the numbers represent the corresponding energy barriers in the units of eV.dElectron-localization function of Os-2B(I).eCharge-density difference plot of Os-2B(I). The yellow (blue) isosurface is drawn at the density of 0.01 (–0.01) e Å–3. The gold and ...
P. A guided tour into subcellular colocalization analysis in light microscopy. J. Microsc. 224, 213–232 (2006). Article CAS PubMed Google Scholar Shrestha, N. et al. Integration of ER protein quality control mechanisms defines β-cell function and ER architecture. J. Clin. Invest. https...
The results have also showed that even rather simple 1RDMFT function- als can quantitatively correctly describe the spatial evolution of electron localization and sharing for different correlation strengths. We hope that with further developments in this field the real-space analysis of realistic Mott ...
Evaluation and localization of oxygen in thin TiN layers obtained by RTLPCVD from TiCl{sub}4-NH{sub}3-H{sub}2 Oxygen is well known to play a significant role in the barrier behavior of titanium nitride layers for the IC metallization. TiN thin films are deposited by rapid thermal low pres...
In compounds such as chlorophyll and phenol, some diagrams show a dotted or dashed line to represent the de-localization of areas where the electron density is higher next to the single bonds.[1]Conjugated systems can sometimes represent regions whereelectromagnetic radiationis absorbed at different ...
theposedensitiesusedinSimultaneousLocalizationandMapping (SLAM)andAssemblyAutomation.Usingthisalignmentanda subsequentaveragingprocess,highsignal-to-noiseratio(SNR) imagesrepresentingeachclassofviewinganglesareobtained forreconstructionalgorithms.Intheproposedmethod,firstwe ...