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An accurate expression for the rates of diffusion-influenced bimolecular reactions with long-range reactivity.
Son, Chang Yun; Kim, Jaehoon; Kim, Ji-Hyun; Kim, Jun Soo; Lee, Sangyoub.
Affiliation
  • Son CY; Department of Chemistry, Seoul National University, Seoul 151-747, South Korea.
J Chem Phys ; 138(16): 164123, 2013 Apr 28.
Article in En | MEDLINE | ID: mdl-23635127
By using the recently developed method for solving the Fredholm integral equations of the second kind, we derive a very accurate expression for the steady-state rate constant of diffusion-influenced bimolecular reactions involving long-range reactivity. We consider the general case in which the reactants interact via an arbitrary central potential and hydrodynamic interaction. The rate expression becomes exact in the two opposite limits of small and large reactivity, and also performs very well in the intermediate regime.
Subject(s)

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory Language: En Journal: J Chem Phys Year: 2013 Type: Article Affiliation country: Korea (South)

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory Language: En Journal: J Chem Phys Year: 2013 Type: Article Affiliation country: Korea (South)