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 (DFT) quantum chemical calculations have been used to evaluate the gas phase electronic and thermochemical properties of fatty acid esters. The calculated low relative energies of the corresponding radicals can explain the large variety of oxidation products observed in experiments. The first oxidation reaction step was determined to be non-spontaneous for all fatty acid...
Monte Carlo NPT simulations were performed for water at room and supercritical thermodynamic conditions using the TIP5P model potential. The topology of the hydrogen bond patterns was characterized by local (clustering coefficient, path length and degree distribution) and global (spectral analysis) properties. The analysis was performed on 500 uncorrelated configurations at room and supercritical...
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.