<> "The repository administrator has not yet configured an RDF license."^^ . <> . . "Proton Transfer in Hydrated Molecular Ions"^^ . "In this work I employ quantum and mixed quantum mechanical/molecular mechanical techniques to describe proton transfer in solvated molecular ions. I explore the role of solvation in facilitating proton-coupled electron transfer in pyridine∙(H2O) n –. The underlying physics which accounts for the differences observed in the N-H region of the infrared spectra of pyridine ∙ (H2O)n=3– when compared to the n≥4 clusters, is also explored. Theoretical challenges encountered when calculating one-dimensional potential energy surfaces are examined. The merits of mapping the potential energy surface of H+(H2O)21 by employing the multistate empirical valence-bond model are evaluated by calculating isomerization pathways."^^ . "2019-09-26" . . . . . . . . "Kaye"^^ . "Archer"^^ . "Kaye Archer"^^ . . . . . . "Proton Transfer in Hydrated Molecular Ions (PDF)"^^ . . . "Archer Final ETD.pdf"^^ . . . "Proton Transfer in Hydrated Molecular Ions (Other)"^^ . . . . . . "lightbox.jpg"^^ . . . "Proton Transfer in Hydrated Molecular Ions (Other)"^^ . . . . . . "preview.jpg"^^ . . . "Proton Transfer in Hydrated Molecular Ions (Other)"^^ . . . . . . "medium.jpg"^^ . . . "Proton Transfer in Hydrated Molecular Ions (Other)"^^ . . . . . . "small.jpg"^^ . . . "Proton Transfer in Hydrated Molecular Ions (Other)"^^ . . . . . . "indexcodes.txt"^^ . . "HTML Summary of #37680 \n\nProton Transfer in Hydrated Molecular Ions\n\n" . "text/html" . .