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Manuscript title: GARLEEK: Adding an Extra Flavor to ONIOM

Journal: J. Comput. Chem.

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Title: 1_ONIOM_UFF
Authors: Funes-Ardoiz, Ignacio
Keywords: Programming
DFT
Python
ONIOM
QMMM
Issue Date: 6-Sep-2018
Publisher: Universitat Autònoma de Barcelona
Institute of Chemical Research of Catalonia
Description: ONIOM(wB97xD:UFF) calculation of molecule 1
URI: https://iochem-bd.iciq.es/browse/handle/100/13337
Appears in Collections:GARLEEK: Adding an Extra Flavor to ONIOM



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/13337

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