ioChem-BD Browse module - Item page
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Referenced by:
Manuscript title: GARLEEK: Adding an Extra Flavor to ONIOM
Journal: J. Comput. Chem.
Metadata:
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 - DOI: 10.19061/iochem-bd-1-98 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/13337