Influence of diffusion on the kinetics of excited-state association--dissociation reactions: comparison of theory and simulation

• Published in: The Journal of chemical physics Vol. 120; no. 13; p. 6111
• Main Authors: Popov, Alexander V, Agmon, Noam, Gopich, Irina V, Szabo, Attila
• Format: Journal Article
• Language: English
• Published: United States 01.04.2004
• Subjects: Computer Simulation; Diffusion; Energy Transfer; Kinetics; Models, Chemical

Several recent theories of the kinetics of diffusion influenced excited-state association--dissociation reactions are tested against accurate Brownian dynamics simulation results for a wide range of parameters. The theories include the relaxation time approximation (RTA), multiparticle kernel decoup...