Inside Cover, Volume 112, Issue 17 International Journal of Quantum Chemistry 112
The generation procedure of the potential energy surface (PES) can, in some systems, influence the relative stability of conformers. In the case of the triatomic van der Waals molecule HeI2, presented on page 2971 by Gerardo Delgado-Barrio and coworkers, it is concluded that different procedures provide PESs of similar quality, determined by the accuracy of the available ab initio data. Confirming the results of previous experimental studies, the surface depicted on the cover shows two potential minima corresponding at the linear and T-shaped configurations with very similar welldepths.
Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf