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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2026 | S1 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -855.6474937; Eh | |||
 | 13-Mar-2026 | S2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -855.6216022; Eh | |||
 | 13-Mar-2026 | S3 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -855.6380805; Eh | |||
 | 13-Mar-2026 | I1 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -855.612715; Eh | |||
 | 13-Mar-2026 | I2 | Borowski, Tomasz | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVP | -855.612715; Eh | |||
 | 9-Jun-2025 | vii14_Oct_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.71417356220; Eh | |||
 | 9-Jun-2025 | vii13_Oct_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.74759681010; Eh | |||
 | 9-Jun-2025 | vii14_Oct_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.29458958889; Eh | |||
 | 9-Jun-2025 | vii14_Ger_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.33199269377; Eh | |||
 | 9-Jun-2025 | vii14_Oct_OAc | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.42074376440; Eh |
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Date issued
- 12 2023