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.
Sulfurous acid (H 2 SO 3 ) has never been characterized or isolated on Earth. This is caused by the unfavorable conditions for H 2 SO 3 within Earth's atmosphere due to the high temperatures, the high water content and the oxidizing environment. Kinetic investigations by means of transition state theory showed that the half-life of H 2 SO 3 at 300 K...
The symmetric tautomerization of the 2-pyridone.2-hydroxypyridine complex has been investigated by quantum chemical methods. This reaction is accomplished by an intermolecular double proton transfer between the monomer units. The barrier of the proton transfer is found to be 9.45-9.85 kcal/mol depending on the level of theory. The ground state tunneling splitting that can be expected for proton exchange...
The reactions of HOBr with HCl and HBr in the presence of n=0, 1, 2 and 3 water molecules are investigated by hybrid density functional theory methods in combination with canonical, variational transition state theory including tunneling corrections. Compared to the reactions of HOCl with HCl and HBr [J. Phys. Chem. A 106 (2002) 7850], we found that the barriers of the title reactions are significantly...
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.