Li, Zhendong and Guo, Sheng and Sokolov, Alexander and Chan, Garnet K. (2017) Reaching towards FeMoCo. In: 253rd American Chemical Society National Meeting & Exposition, 2-6 April 2017, San Francisco, CA. https://resolver.caltech.edu/CaltechAUTHORS:20170503-145744217
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Abstract
I will describe two new methods we are developing: p-DMRG and td-PT2, that are aimed at resolving the correlated electronic structure of the FeMoCo complex of nitrogenase.
| Item Type: | Conference or Workshop Item (Paper) | ||||||||
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| Additional Information: | © 2017 American Chemical Society. | ||||||||
| Record Number: | CaltechAUTHORS:20170503-145744217 | ||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20170503-145744217 | ||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||
| ID Code: | 77171 | ||||||||
| Collection: | CaltechAUTHORS | ||||||||
| Deposited By: | Tony Diaz | ||||||||
| Deposited On: | 04 May 2017 01:30 | ||||||||
| Last Modified: | 24 Feb 2020 23:51 |
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