ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Maurya, Manish | |
| dc.date.accessioned | 2025-12-26T21:29:40Z | - |
| dc.date.available | 2025-12-26T22:29:15.683681+01:00 | |
| dc.date.available | 2025-12-26T21:29:40Z | - |
| dc.date.created | 2025-12-26T22:29:15.683681+01:00 | |
| dc.date.issued | 2025-12-26T22:29:15.683681+01:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/480661 | - |
| dc.description.abstract | io-chem | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-612 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /DMSO/NU901@Cu-conf2 io_chem | |
| dc.type | dataset | |
| cml.program.name | GROMACS | |
| cml.program.version | 2024.3 | |
| cml.formula.generic | C804H568Cl6Cu1296N6O236Zr28 | |
| cml.calculationtype | Molecular Dynamics | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | cd4dc - DOI: 10.19061/iochem-bd-6-612 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/480661
Item files in Browse 
HTML5 resume (see conditions inside)