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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Sep-2023 | incl2_H2eta1_vacuum | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | RB3LYP | 6-31+G* SDD GENECP | -923.237376267; Eh | |||
 | 13-Sep-2023 | h2_eta1_incl2_aq | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | RB3LYP | 6-31+G* SDD GENECP | -923.237376267; Eh | |||
 | 13-Sep-2023 | h2_aq | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | RB3LYP | 6-31+G* GENECP | -1.17556854684; Eh | |||
 | 13-Sep-2023 | h2_eta1_incl2_vacuum | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | RB3LYP | 6-31+G* SDD GENECP | -923.237376267; Eh |
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