Dynamics simulation is a powerful tool for investigation of nonadiabatic events in molecular processes. It allows the molecules to explore by themselves the configurational space, to find the main reaction paths and conical intersections, and to determine the different time scales at which the processes occur.
|Title of host publication||Conical Intersections|
|Subtitle of host publication||Theory, Computation and Experiment|
|Publisher||World Scientific Publishing Co.|
|Number of pages||48|
|State||Published - Jan 1 2011|