Contributors: View
Troy Van Voorhis

| Contributions | 1 (detailed usage) |
|---|---|
| Affiliation | Massachusetts Institute of Technology |
| Web Site | http://web.mit.edu/vanvoorhisgroup/ |
| Biography | Troy Van Voorhis |
Contributions
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Exploring Electron Transfer with Density Functional Theory
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03 Jul. 2006 | Online Presentations | Contributor(s): Troy Van Voorhis
This talk will highlight several illustrative applications of constrained density functional theory (DFT) to electron transfer dynamics in electronic materials. The kinetics of these reactions are commonly expressed in terms of well known Marcus parameters (driving force, reorganization energy …