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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jun-2025 | vii14_Ner_OMs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.54030052765; Eh | |||
 | 9-Jun-2025 | vii15_Oct_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.29546636242; Eh | |||
 | 9-Jun-2025 | vii14_Ger_OH | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.39333370794; Eh | |||
 | 9-Jun-2025 | vii15_Oct_OAc | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.43950916169; Eh | |||
 | 9-Jun-2025 | vii15_Oct_OMs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -16064.6982422; Eh | |||
 | 9-Jun-2025 | vii15_Oct_OH | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.34576341838; Eh | |||
 | 9-Jun-2025 | vii15_Ner_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -1.35277075008; Eh | |||
 | 9-Jun-2025 | vii15_Ner_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.77177455275; Eh | |||
 | 9-Jun-2025 | vii15_Ger_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.77232669509; Eh | |||
 | 9-Jun-2025 | vii15_Ger_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.34245742914; Eh |
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Date issued
- 12 2023