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Exactly embedded density functional theory for modeling chemical reactions

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.

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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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Miller, Thomas F.0000-0002-1882-5380
Additional Information:© 2013 American Chemical Society.
Record Number:CaltechAUTHORS:20131011-082934587
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:41883
Deposited By: Tony Diaz
Deposited On:11 Oct 2013 20:59
Last Modified:03 Oct 2019 05:53

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