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Pérez-Barcia, Álvaro, Cárdenas, Gustavo, Nogueira, Juan J., Mandado, Marcos (2023) Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of Chemical Information and Modeling, 63 (3) 882-897 doi:10.1021/acs.jcim.2c01184

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Reference TypeJournal (article/letter/editorial)
TitleEffect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis
JournalJournal of Chemical Information and Modeling
AuthorsPérez-Barcia, ÁlvaroAuthor
Cárdenas, GustavoAuthor
Nogueira, Juan J.Author
Mandado, MarcosAuthor
Year2023 (February 13)Volume63
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jcim.2c01184Search in ResearchGate
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Mindat Ref. ID15705433Long-form Identifiermindat:1:5:15705433:2
GUID0
Full ReferencePérez-Barcia, Álvaro, Cárdenas, Gustavo, Nogueira, Juan J., Mandado, Marcos (2023) Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of Chemical Information and Modeling, 63 (3) 882-897 doi:10.1021/acs.jcim.2c01184
Plain TextPérez-Barcia, Álvaro, Cárdenas, Gustavo, Nogueira, Juan J., Mandado, Marcos (2023) Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of Chemical Information and Modeling, 63 (3) 882-897 doi:10.1021/acs.jcim.2c01184
In(2023, February) Journal of Chemical Information and Modeling Vol. 63 (3) American Chemical Society (ACS)

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Cárdenas, Gustavo, Pérez-Barcia, Álvaro, Mandado, Marcos, Nogueira, Juan J. (2021) Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis. Physical Chemistry Chemical Physics, 23 (36) 20533-20540 doi:10.1039/d1cp03382d
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