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• W3047043445 endingPage "19317" @default.
• W3047043445 startingPage "19307" @default.
• W3047043445 abstract "The QM/MM partition is determined on-the-fly using any geometrical property as a criterion, while satisfying energy conservation." @default.
• W3047043445 created "2020-08-10" @default.
• W3047043445 creator A5021768104 @default.
• W3047043445 date "2020-01-01" @default.
• W3047043445 modified "2023-09-24" @default.
• W3047043445 title "On-the-fly determination of active region centers in adaptive-partitioning QM/MM" @default.
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• W3047043445 doi "https://doi.org/10.1039/d0cp03034a" @default.
• W3047043445 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32820763" @default.
• W3047043445 hasPublicationYear "2020" @default.
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