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1_ONIOM_UFF.in8.95 kBDownload
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Manuscript title: GARLEEK: Adding an Extra Flavor to ONIOM

Journal: J. Comput. Chem.

Metadata:

Title: 1_ONIOM_UFF
Authors: Funes-Ardoiz, Ignacio
Institute of Chemical Research of Catalonia
Keywords: Programming;DFT;Python;ONIOM;QMMM
Issue Date: 6-Sep-2018
Publisher: Universitat Autònoma de Barcelona
Institute of Chemical Research of Catalonia
Related to: Title: GARLEEK: Adding an Extra Flavor to ONIOM
Journal: J. Comput. Chem.
Description: ONIOM(wB97xD:UFF) calculation of molecule 1
URI: https://www.iochem-bd.org//handle/10/8375
Appears in Collections:GARLEEK: Adding an Extra Flavor to ONIOM



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/8375

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