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.
We present a theoretical study on the main mechanistic features of the oxidative cyclodehydrogenation reaction of oligophenylene precursors affording the planar corresponding fully benzenoid, planar polycyclic aromatic hydrocarbons (BPAHs), molecular nanostructures of emerging interest in the field of nanotechnology. We firstly consider the transformation of o-terphenyl molecules, C 18 H ...
A theoretical method to calculate multidimensional Franck–Condon factors including Duschinsky effects is described and used to simulate the photoelectron spectrum of the anion SO2-. Geometry optimizations and harmonic vibrational frequency calculations have been performed on the X˜1A1 state of SO 2 and X˜2B1 state of SO2-. Franck–Condon analyses and spectral simulation were carried out on...
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.