Published September 12, 2018
| Version v1
Dataset
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Parameters and simulations for two ruthenium complexes
- 1. Universidade Federal de Santa Catarina
Description
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.