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In this dataset we include the parameters for two ruthenium complexes, cis-[Ru(II)(dmso)4Cl2] and the hydrolyzed complex trans-[Ru(II)(dmso)2(H2O)3Cl2], called 2 and 1.2, respectively. Each decompressed folder includes the parameters obtained using the MCPB.py program from Ambertools, the scripts used for solvation, as well as a sample simulation.
ruthenium complex, molecular dynamics
ruthenium complex, molecular dynamics
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
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