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"Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction ..."

Álvaro Pérez-Barcia et al. (2023)

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DOI: 10.1021/ACS.JCIM.2C01184

access: open

type: Journal Article

metadata version: 2023-02-28

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  - journals/jcisd/PerezBarciaCNM23
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  - https://dblp.org/rec/journals/jcisd/PerezBarciaCNM23
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J. Nogueira, Marcos Mandado:
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. J. Chem. Inf. Model. 63(3): 882-897 (2023)

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