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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Nov-2023 | TSPeri_tsfreq_dimer | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBE1PBE | DEF2SVP | -4480.78927062; Eh | ||||
14-Nov-2023 | freq_Pd_H_Ph_IM3 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBE1PBE | DEF2SVP | -2240.38486935; Eh |
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