Photoinduced enhancement of chemical shift sensitivity to local vibrations [Dataset]
收藏DataCite Commons2026-05-07 更新2026-05-10 收录
下载链接：
https://digital.csic.es/handle/10261/431087
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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.
提供机构：
CSIC - Instituto de Ciencia de Materiales de Madrid (ICMM)
创建时间：
2026-05-07
