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Dataset for Publication: Solvent and field effects on photoinduced ring-opening: dynamics of furan as a case study

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Zenodo2026-05-23 更新2026-05-26 收录
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资源简介:

This dataset contains all input files required to perform the AIMS and MCTDH nonadiabatic dynamics simulations of Furan (initial conditions, input files, RMS-PT2 reference wavefunction) and all data presented in the figures of the manuscript. Full details of the calculations and methodology required to reproduce the findings are provided within the article and its supplementary information.

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Zenodo
创建时间:
2026-05-23
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