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American Chemical Society, Journal of Chemical Theory and Computation, 5(16), p. 2952-2964, 2020

DOI: 10.1021/acs.jctc.9b01152

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Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding

Journal article published in 2020 by William Dawson ORCID, Stephan Mohr ORCID, Laura E. Ratcliff ORCID, Takahito Nakajima ORCID, Luigi Genovese
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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