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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Apr-2022 | 2a | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GENECP | -420.905808109; Eh | |||
| 1-Apr-2022 | i14-het | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GENECP | -1384.58108708; Eh | |||
| 1-Apr-2022 | i6-1a | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GENECP | -986.512595589; Eh | |||
| 1-Apr-2022 | prodhom2a | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GENECP | -819.057386726; Eh | |||
| 1-Apr-2022 | i6-2a | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G(D) GENECP | -1164.37526550; Eh |
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