Abstract
The problem of constructing reaction paths for conformational changes in noble gas clusters, which are formed by weak dispersion forces has been discussed. The potential energy surface describing these systems are extremely rugged and contains a large number of minima and saddle points within a narrow energy range. So it is not beyond expectation that there must exist a number of paths describing conformational changes in these systems in the given energy range and these bunch of paths provide a better description of possible conformational changes as opposed to the conventional single minimum energy path. To study this issue we have taken up the $$Ar_{18}$$ cluster as a typical example and the entire formulation is done with the use of the stochastic search strategy of simulated annealing. The quantitative results clearly show the existence of a large number of minima and transition states and also a multitude of probable transforming paths between stable geometries.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
