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confout.groDownload
Urea.itpDownload
ClO4_atomtypes.itpDownload
topol.topDownload
nvt.mdpDownload
ions.itpDownload
trajout.xtcDownload
ClO4.itpDownload
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dc.contributor.authorPollet, Rodolphe
dc.date.accessioned2026-02-11T08:31:27Z-
dc.date.available2026-02-11T09:31:13.194684+01:00
dc.date.available2026-02-11T08:31:27Z-
dc.date.created2026-02-11T09:31:13.194684+01:00
dc.date.issued2026-02-11T09:31:13.194684+01:00
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/486091-
dc.description.abstractClassical MD simulation at 300 K
dc.publisherCommissariat à l'énergie atomique et aux énergies alternatives (CEA)
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-625-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2026
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectLithium
dc.titleClassical_MD_simulation
dc.typedataset
cml.program.nameGROMACS
cml.program.version2018.8
cml.formula.genericC13H52Cl13Li13N26O65
cml.calculationtypeMolecular Dynamics
cml.hassolventtrue
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:LiClO4-urea-water - DOI: 10.19061/iochem-bd-6-625



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