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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Mar-2024 | water | Matsutani, Satoshi | GRRM; 23 | MIN | wB97XD | def2svp | -76.337001320017; Eh | - | - |
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