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.
A valence bond study of the charge transfer contribution to the intermolecular interaction energy is presented. The charge transfer energy is calculated by a perturbation method based on a matrix decomposition of the Hamiltonian, relative to a basis of Weyl-Rumer VB structures: the important effects arise from transfer of one electron between the interacting systems, followed by pairing of spins...
A general expression for the dispersion energy contribution to the solvation free energy is derived by exploiting the analogy between certain aspects of the theory of intermolecular forces and of the theory of solvation in the polarizable continuum model. The proposed method of calculation requires a knowledge of the solvent dielectric constant at imaginary frequencies, often efficiently approximated...
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.