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Potential energy surface for methanimine

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Zenodo2024-04-08 更新2026-04-07 收录
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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).

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2024-04-08
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