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Issue Date
Title
Author(s)
28-May-2019
Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution
Kara E. Ranaghan
;
Darya Shchepanovska
;
Simon J. Bennie
;
Narin Lawan
;
Stephen J. Macrae
;
Jolanta Zurek
;
Frederick R. Manby
;
Adrian J. Mulholland
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Author
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Frederick R. Manby
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Simon J. Bennie
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Chemical Engineering
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Social Sciences