Resolving Heterogeneous Dynamics of Excess Protons in Aqueous Solution with Rate Theory

Autor:	Gregory K. Schenter, Santanu Roy, Marcel D. Baer, Christopher J. Mundy, Thomas E. Markland, Joseph A. Napoli
Rok vydání:	2020
Předmět:	Physics Transition state theory Aqueous solution Chemical physics Dynamics (mechanics) Materials Chemistry Physical and Theoretical Chemistry Surfaces Coatings and Films
Zdroj:	The Journal of Physical Chemistry B. 124:5665-5675
ISSN:	1520-5207 1520-6106
DOI:	10.1021/acs.jpcb.0c02649
Popis:	Rate theories have found great utility across the chemical sciences by providing a physically transparent way to analyze dynamical processes. Here we demonstrate the benefits of using transition state theory and Marcus theory to study the rate of proton transfer in HCl solutions. By using long
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::625f45f81f629dcc029b00c259825822 https://doi.org/10.1021/acs.jpcb.0c02649 Zobrazit plný text záznamu