The free energy profiles for the electron transfer reactions calculated from the integral equation method of liquids

Molecular Simulation

Volumn 16, Issue 1-3, 1996, Pages 3-17

  Chong, Song Ho ^a   Hirata, Fumio ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

Electron transfer reactions; Free energy profiles; HNC; RISM

Indexed keywords

EID: 0011112347     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029608024057     Document Type: Article

References (35)

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34. We calculated the free energy profile neglecting ε in Eq. (10). Neglecting this term does not change the shape of the each profile, but only the relative height of two profiles.
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