Photoinduced enhancement of chemical shift sensitivity to local vibrations [Dataset]
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资源简介：
This dataset contains raw output files. The structure and variable naming conventions within these files are governed by the OpenMolcas v24.02 and SHARC 3.0 output specifications. Key variables (such as energy gradients, transition moments, and populations) are identified using the standard internal labels of these packages.
创建时间：
2026-05-07
