Dataset for Publication: Solvent and field effects on photoinduced ring-opening: dynamics of furan as a case study
收藏官方服务:
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.
提供机构:
Zenodo创建时间:
2026-05-23



