|In silico Synthesis
|Transition State Data Base
|We have been interested in mechanisms of chemical reactions. Locating transition states (TSs) and calculating intrinsic reaction coordinates (IRCs) are the key procedure of our investigaeions. These techniques are applicable to develop synthesis routes of organic compounds so that we are applying them to achieving this purposes projects as shown above.|
to investigatesolvent effects for chemical reactions
The solvent effects for chemical reactions are very important to understand what isgoing in solution. We developped the QM/MC/FEP method to deal with the effects correctly
Challenge for a venture company
We are running a venture company named "Transition State (TS) technology" for three and half years. CEO is Dr. Yamaguchi. If you are interested in computational chemistry for your business, let us know at TS Technology.