Explicit solvent simulations of the aqueous oxidation potential and aqueous reorganization energy for neutral organic compounds: Gas phase, linear solvent response, and non-linear response contributions

Jennifer J. Guerard, Peter Rudolf Tentscher, Marianne Seijo, J. Samuel Arey

Research output: Contribution to journalJournal articleResearchpeer-review

19 Citations (Scopus)
Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume17
Issue number22
Pages (from-to)14811-14826
ISSN1463-9076
DOIs
Publication statusPublished - 2015
Externally publishedYes

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