**************** The 19th., Lab Seminar *****************

Date: Mon, January 23, 2006  PM 1:30-

Place: No.616 Seminar room
　　　　　　 Graduate School of Information Science

Speaker: Masayoshi Takayanagi

Title: Calculation methods of solvation free energies

　A QM/MM study combined with the theory of energy representation:
　　Solvation free energies for anti/syn acetic acids in aqueous solution
　Chem. Phys. Lett, 419 (2005) 240-244

 Some calculation methods for solvation free energies is
commented on.   As a example, I will introduce a letter
of an application example of QM/MM-ER method.

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