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 the quantum mechanical (QM) and quasiclassical trajectory (QCT) dynamics of the title reaction on two uncoupled surfaces, using a wavepacket (WP) method and considering some N 2 (v,j) vibrational and rotational states. The reaction is investigated by calculating initial-state-resolved reaction probabilities, cross sections, and rate constants, which are explained in terms of energy...
We present both the Born–Oppenheimer (BO) and the nonadiabatic (NA) conical-intersection quantum dynamics of the title reactions, (1) and (2), respectively. BO or NA calculations are carried out using adiabatic or diabatic electronic states, respectively, and we consider some vibrational (v 0 ) and rotational (j 0 ) states of O 2 , taking into account the Pauli principle. The...
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.