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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Jul-2023 | Ga-DFO | Alvarado-Huayhuaz, Jesus | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D,P) SDD GEN | -1912.91827509; Eh | ||||
8-Jul-2023 | Al-DFO | Alvarado-Huayhuaz, Jesus | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D,P) SDD GEN | -2153.36148297; Eh |
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