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.
Density functional theory calculations have been performed to characterize the interactions between [BMIM][PF 6 ] ionic liquid and icosahedral Pt x Ru 55−x (x=0, 13, 42, 55) nanoparticles. In Ru 13 Pt 42 –[BMIM][PF 6 ], only one F atom of the anion form the bond with nanoparticle, resulting in the smallest interaction energy (−0.56eV). While in...
We report the global minimum structures of (NaBH 4 ) n (n=1–6) clusters by combining the particle swarm optimization algorithm with density functional theory. A newly formed hydrogen molecule is observed in each cationic structure, and the H 2 interacts with adjacent boron atom by Kubas interaction. The results of localized orbital locator and natural bond orbital analysis...
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.