Direct simulation of electron transfer in the cobalt hexammine(ii/iii) self-exchange reaction
Author:
Affiliation:
1. Robert Frederick Smith School of Chemical and Biomolecular Engineering
2. Cornell University
3. Ithaca
4. USA
5. Department of Chemistry and Chemical Biology
Abstract
We present an atomistic simulation of electron transfer in a transition metal complex system using path integral methods.
Funder
Division of Graduate Education
President's Council of Cornell Women
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP04882J
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