A biased transition-state search is a powerful tool for locating multiple reaction pathways from a common reactant state. The method developed allows the successive location of transition states, with each successful search contributing to a cumulative bias potential for subsequent searches. Thus, the method is system-independent and can be applied to any psuedo-Newton-Raphson search algorithm.
|Original language||English (US)|
|Number of pages||9|
|Journal||Journal of Chemical Physics|
|State||Published - Jun 1 2003|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry