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.
17O NMR shieldings are calculated for the central O in the molecular model OM6(OH)122, for crystalline alkaline earth oxides, MO, where M=Mg, Ca, and Sr, using both HartreeFock and hybrid HartreeFock density-functional theory. Agreement of calculated and experimental NMR shifts of CaO and SrO compared to MgO is good, but only if the basis set on the M atoms has sufficient tight d polarization functions...
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.