Professor Tetsuya Taketsugu

Hokkaido University
Division of Chemistry, Graduate School of Science
Sapporo 060-0810, Japan

take@sci.hokudai.ac.jp

Home Page: http://barato.sci.hokudai.ac.jp/~qc

I stayed in Mark Gordon's group in Ames from Sept. 1994 to Sept. 1995. During this stay, I implemented a dynamics reaction coordinate (DRC) code with normal mode mapping option in GAMESS and carried out applications. We also proposed a method to analyse the DRC trajectories in terms of the reaction coordinate and curvature coordinates.

After coming back to Japan, I continued collaborations with Mark and published papers on the following topics:

Theoretical study on the reaction mechanism of Co⁺ with NH₃.
Theoretical development of generation of potential energy surface by the modified Shepard interpolation method.
Development of the direct VSCF method and its application, including a quartic force field approximation.

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