Miller, Thomas F. (2012) Direct simulation of electron transfer and proton-coupled electron transfer dynamics in the condensed-phase. In: 244th ACS National Meeting & Exposition, August 19-23, 2012, Philadelphia, PA. http://resolver.caltech.edu/CaltechAUTHORS:20120821-154507047
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Abstract
The talk will discuss recent developments in the simulation of coupled electronic and nuclear dynamics in condensed-phase chem. reactions [1-5]. In particular, we will discuss the use of ring polymer mol. dynamics, semiclassical methods, and exact quantum methods to characterize electron transfer and proton coupled electron transfer reaction dynamics.
| Item Type: | Conference or Workshop Item (Paper) |
|---|---|
| Record Number: | CaltechAUTHORS:20120821-154507047 |
| Persistent URL: | http://resolver.caltech.edu/CaltechAUTHORS:20120821-154507047 |
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. |
| ID Code: | 33423 |
| Collection: | CaltechAUTHORS |
| Deposited By: | Tony Diaz |
| Deposited On: | 27 Aug 2012 23:16 |
| Last Modified: | 27 Aug 2012 23:16 |
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