NMR and ETS-NOCV calculations on [Py - Ag/I - Py]+ complexes
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ZORA and SO-ZORA DFT computations of 15N NMR chemical shift and interaction energies - input and output files for ADF2022
创建时间:
2023-10-24

ZORA and SO-ZORA DFT computations of 15N NMR chemical shift and interaction energies - input and output files for ADF2022