Brownian Dynamics of Chemical Reactions

Pierre Turq, Jose Luis Fernandez-Abascal and Giovanni Ciccotti [Pg.287]

Laboratoire d Electrochimie UA 430 Universite Pierre et Marie Curie 8 Rue Cuvier 75005 Paris, France [Pg.287]

The method of brownian dynamics appears as the dynamical equivalent of molecular dynamics, when one goes from the Born-Oppenheimer to the Mac-Millan Mayer level. [Pg.287]

The application of brownian dynamics to chemical reactions is possible when the solvent molecules are not directly involved in the chemical process, either as reactants or as products. [Pg.287]

Several applications of brownian dynamics were made for electrolyte solutions and for biochemical systems with the aim to computing rate constants or characterizing chemical species. [Pg.287]

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