Miller, Thomas F. (2013) Exactly embedded density functional theory for modeling chemical reactions. In: 246th ACS National Meeting & Exposition, Sept. 8-12, 2013, Indianapolis, IN. https://resolver.caltech.edu/CaltechAUTHORS:20131011-082934587
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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.
| Item Type: | Conference or Workshop Item (Paper) | ||||||
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| Additional Information: | © 2013 American Chemical Society. | ||||||
| Record Number: | CaltechAUTHORS:20131011-082934587 | ||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20131011-082934587 | ||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 41883 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Tony Diaz | ||||||
| Deposited On: | 11 Oct 2013 20:59 | ||||||
| Last Modified: | 03 Oct 2019 05:53 |
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