Finding transition states using the LTP algorithm. Preliminary results using the Line-Then-Plane (LTP) procedure to find Transition States (TS) in simple chemical systems are presented. With slight modifications the algorithm has been implemented in the ZINDO program package, and has proven to require less computer time than other procedures that demand the full evaluation of the Hessian. We demonstrate that this procedure is able to give a good approximation of the minimum energy reaction path.
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- Cardenas-Lailhacar, Cristian; Zerner, Michael C.: Finding transition states using the LTP algorithm (2002)