Investigation of the effect of solvation on 1J(Metal-P) spin-spin coupling (dataset)
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Computational data (inputs and outputs) underpinning the DFT calculations reported in the corresponding paper. The date comprise inputs and outputs for the geometry optimisations (using the Gaussian 09 program) and for the NMR single-point calculations (using the ReSpect program)
创建时间：
2024-12-06
