ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Novotny, Jan | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-09-24T13:03:10Z | - |
| dc.date.available | 2024-09-24T13:03:10Z | - |
| dc.date.created | 2024-09-24T15:03:07.121935+02:00 | - |
| dc.date.issued | 2024-09-24T15:03:07.121935+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/328424 | - |
| dc.description | MD trajectory of complex 4 in CB7 in water, 2us | - |
| dc.publisher | Faculty of Science, Masaryk University | - |
| dc.publisher | CEITEC Masaryk University | - |
| dc.publisher | National Centre for Biomolecular Research, Masaryk University | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-406 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | MD_4@CB7 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-09-24T13:03:10Z | - |
| cml.program.name | Amber | en |
| cml.program.version | 22 | en |
| cml.energy.value | -22.83261013056 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | Pt | en |
| cml.calculationtype | Molecular Dynamics | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Pt(II)_coordination_compounds_and_cucurbituril_CB_7 - DOI: 10.19061/iochem-bd-6-406 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/328424
Item files in Browse 
HTML5 resume (see conditions inside)