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Optimized Geometries For Selected Ions Of Ionic Liquids And Small Molecules

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Zenodo2020-09-20 更新2026-05-25 收录
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The geometries of these selected chemical entities were optimized at the ab initio or semiempirical levels of theory. They can be conveniently used to create more complicated systems through combining species like the free PACKMOL software offers.

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Zenodo
创建时间:
2016-08-03
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