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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Nov-2023 | bnpp-ts1-m | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UwB97XD | GEN | -2025.38972890; Eh | ||||
21-Nov-2023 | npp-ts1-m | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UwB97XD | GEN | -1794.00176793; Eh |
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