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Rate constants for ion pair formation and dissociation in water
Affiliation:1. Center for Bioengineering and Tissue Regeneration, Department of Surgery, University of California San Francisco, San Francisco, CA 94143, USA;2. Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94143, USA;3. Department of Radiation Oncology, Eli and Edythe Broad Center of Regeneration Medicine and Stem Cell Research, University of California San Francisco, San Francisco, CA 94143, USA;4. Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94143, USA
Abstract:The reactive flux time correlation function for an associating ion pair in water is obtained by computer simulation. The transmission coefficient is found directly from the reactive flux and also through the method of absorbing barriers. Rate constants for the transitions between the contact and solvent-separated states of the ion pair are calculated.
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