Free energy Surfaces and Dynamics of Chemical Reactions in Solutions and Biological Systems
Grant-in-Aid for Scientific Research (B)
Kyoto University
Shigeki KATO
From 01 Apr. 2005, To 31 Mar. 2008, Project Closed
化学反応;自由エネルギー;ダイナミックス;酵素反応;溶液;RISM-SCF法;分極可能電荷モデル;生体;電子緩和;円錐交差;電荷移動, chemical reactions;free energy surfaces;dynamics;enzymatic reactions;reactions in solution;RISM-SCF method;polarizable charge model