Supplementary Information File
收藏aip.figshare.com2024-08-09 更新2025-01-15 收录
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The supplementary material file contains the 3D model of various Jacobi coordinates along with the Python code to perform Space-Fixed expansion of rigid rotor-rigid rotor collision PES. The file also contains analytically fitted radial terms in MOLSCAT format along with residual plot for PES recreated from these radial terms. Finally, various plots for cross-sections and rate coefficients comparing o- and p-H2 collisional results are also provided in the supplementary material file.
补充材料文件包含各种雅可比坐标的3D模型,以及用于执行刚体转子-刚体转子碰撞势能面(PES)空间固定扩展的Python代码。此外,文件中还包含以MOLSCAT格式拟合的径向项,以及由这些径向项重新创建的PES的残差图。最后,补充材料文件还提供了比较o-和p-H2碰撞结果的截面和速率系数的各种图表。
提供机构:
AIP Publishing



