Potential energy surface for methanimine
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https://zenodo.org/record/10943321
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资源简介:
Molpro restart file (ASCII) for the XSURF program of the potential energy expanded in terms of normal coordinates of methanimine. Data refer to the publication VSCF/VCI theory based on the Podolsky Hamiltonian (https://doi.org/10.1063/5.0213401).
创建时间:
2024-06-05



