Supplementary Material
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https://aip.figshare.com/articles/dataset/Supplementary_Material/28062212
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资源简介：
Additional details on the rotations of the HXY and HX wave functions.
The derivation of the integration formulas for HXY and HX.
An electron-proton basis sets combination assessment.
The even-tempered basis set for the symmetry-enforced calculations.
Tests of the rotational formula numerical integration grid.
The molecular geometries employed.
The proton-binding energies and rotational transition energies computed for each molecule.
The multiple linear regression parameters and scaling factors for each molecule.
An alternative scaled Ro-DFT model with system-independent parameters.
Additional references
提供机构：
AIP Publishing
创建时间：
2024-12-19
