Parameters And Simulations For Two Ruthenium Complexes
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资源简介：
In this dataset we include the parameters for two ruthenium complexes, <em>cis-</em>[Ru(II)(dmso)<sub>4</sub>Cl<sub>2</sub>] and the hydrolyzed complex <em>trans-</em>[Ru(II)(dmso)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>Cl<sub>2</sub>], called <strong>2</strong> and <strong>1.2</strong>, 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.
创建时间：
2018-09-12
