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 have performed first-principles calculations for crystalline oligomers of poly(para-phenylene) in the framework of density functional theory. The band structure of the 2-, 3-and 4-unit oligomer is determined. The band gap as a function of chain length excellently reproduces the experimental findings. Additionally we have studied the effects when generalized gradient corrections (GGA) are applied...
We have calculated the frequency dependent complex dielectric tensor for bi-and terphenyl within the framework of density functional theory. The good agreement with experimental data confirms that the anisotropy in the optical absorption can be well understood within the band picture. We predict the absorption behavior of ordered films with various chain orientations with respect to the substrate...
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.