A computational insight on the aromatic amino acids conjugation with [Cp*Rh(H2O)3]2+ by using the MTD/FMO3 approach.
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下载链接：
https://zenodo.org/record/8417064
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资源简介：
The zip file contains the 3D coordinates of the optimized structures, obtained by sampling each 1 ps of the EC1, EC2 and EC3 trajectories (MTD and MD calculations) and used as input geometries for FMO3 calculations.
创建时间：
2023-10-08
