Nonequilibrium solvation and the quantum kramers problem: Proton transfer in aqueous glycine

Rakesh Karmacharya, Dimitri Antoniou, Steven D. Schwartz

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Abstract

We study the intramolecular proton transfer in the amino acid glycine in aqueous solution. We show that this system is an example of nonequilibrium solvation, where the proton-transfer step is fast and the solvent relaxes afterward. We show how the physical picture of equilibrium vs nonequilibrium solvation arises naturally within the framework of the quantized Zwanzig Hamiltonian. κ 2001 American Chemical Society.

Original languageEnglish (US)
Pages (from-to)2563-2567
Number of pages5
JournalJournal of Physical Chemistry A
Volume105
Issue number12
StatePublished - Mar 29 2001
Externally publishedYes

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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