Combining Synchronous Transit and Quasi-Newton Methods to Find Transition States

Chunyang Peng

Department of Chemistry, Wayne State University, Detroit, MI 48202, USA

H. Bernhard Schlegel: received degrees from the University of Waterloo and Queen's University, Canada (Ph.D., 1975, with Saul Wolfe). After postdoctoral studies at Princeton University (with K. Mislow and L.C. Allen) and at Carnegie-Mellon University (with J. A. Pople) he joined the Merck, Sharp, and Dohme Research Labs. Since 1980 he has been a Professor of Chemistry at Wayne State University. His current research interests are geometry optimization, energy derivative methods, and application of quantum chemical calculations to organic chemistry.

Corresponding Author

H. Bernhard Schlegel

Department of Chemistry, Wayne State University, Detroit, MI 48202, USA

Chunyang Peng: received his degrees from Hunan University, China and from University of Texas, Austin (Ph.D., 1992, with J.E. Boggs). He is currently a postdoctoral fellow with H.B. Schlegel.