The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
The electronic structure of tetrabenz[a,e,g,k]-15,18-dithia-9,24-diaza-cyclohexadeca-9,23-diene (bite), as well as its quasi-tetrahedral and quasi-planar Cu(bite) q complexes (q=+1 or +2), has been investigated at the MP2/6-31G level of theory in terms of atoms-in-molecule (AIM) topological analysis of electron density. The electron density ρ, its Laplacian L and bond ellipticity ε at bond...
Using MP2/cc-pVDZ treatment, the optimal conformations of simple cyclotetraphosphazenes, cyclo-(NPX 2 ) 4 for X=H, F and Cl, were investigated. The most stable structures correspond to D 2d symmetry for all the compounds under study. Their stabilization energies have the same trend as the X electronegativities. Only C 4v , D 2d and two different...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.