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| File | Description | Size | |
|---|---|---|---|
| opt_compl04_c_fle5_GV.garleek.com | 207.73 kB | Download | |
| output.cml | 2.62 MB | Download |
Referenced by:
Manuscript title: GARLEEK: Adding an Extra Flavor to ONIOM
Journal: J. Comput. Chem.
Metadata:
| Title: | Al3+-AB-peptide_AMBER98SB |
| 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: | Garleek ONIOM(B3LYP:AMBER98SB) calculation |
| URI: | https://www.iochem-bd.org//handle/10/8372 |
| 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/10/8372
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