Published September 2013
| public
Conference Paper
Exactly embedded density functional theory for modeling chemical reactions
- Creators
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Miller, Thomas F.
Chicago
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Abstract
We will describe embedded d. functional theory methods for performing accurate and scalable electronic structure theory calcns. in large mol. systems, with application to clusters, liqs., transition metal complexes, and chem. reactions.
Additional Information
© 2013 American Chemical Society.Additional details
- Eprint ID
- 41883
- Resolver ID
- CaltechAUTHORS:20131011-082934587
- Created
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2013-10-11Created from EPrint's datestamp field
- Updated
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2019-10-03Created from EPrint's last_modified field