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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jun-2025 | vii5_Oct_OH | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -15.7425320305; Eh | |||
 | 9-Jun-2025 | vii5_7MeOct_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.75825761151; Eh | |||
 | 9-Jun-2025 | vii5_3MeOct_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.72974661454; Eh | |||
 | 9-Jun-2025 | vii5_3MeOct_OH | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -1.20325495709; Eh | |||
 | 9-Jun-2025 | vii5_3MeOct_OTs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.49709832861; Eh | |||
 | 9-Jun-2025 | vii5_3MeOct_OCHO | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.25471949488; Eh | |||
 | 9-Jun-2025 | vii5_3MeOct_OMs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.49991313785; Eh | |||
 | 9-Jun-2025 | vii5_7MeOct_OCHO | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.25826743479; Eh | |||
 | 9-Jun-2025 | vii5_7MeOct_OMs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.52828473796; Eh | |||
 | 9-Jun-2025 | vii5_7MeOct_OH | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.19595099713; Eh |
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Date issued
- 12 2023