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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2018 | /Th@C86_ipr11_Th_sites th-c86-ipr11-10 | Roser, Morales | ADF; 2017 | Geometry optimization Minimum | DFT | TZP | -27.98854954; Eh | |||
| 21-Dec-2018 | /Th@C86_ipr11_Th_sites th-c86-ipr11-9 | Roser, Morales | ADF; 2017 | Geometry optimization Minimum | DFT | TZP | -27.94210684; Eh | |||
| 21-Dec-2018 | /Th@C86_ipr11_Th_sites th-c86-ipr11-8 | Roser, Morales | ADF; 2017 | Geometry optimization Minimum | DFT | TZP | -27.95123433; Eh | |||
| 21-Dec-2018 | /Th@C86_ipr11_Th_sites th-c86-ipr11-1 | Roser, Morales | ADF; 2017 | Geometry optimization Minimum | DFT | TZP | -27.99862821; Eh | |||
| 21-Dec-2018 | /Th@C86_ipr11_Th_sites th-c86-ipr11-2 | Roser, Morales | ADF; 2017 | Geometry optimization Minimum | DFT | TZP | -27.96145090; Eh | |||
| 21-Dec-2018 | /Th@C86_ipr11_Th_sites th-c86-ipr11-6 | Roser, Morales | ADF; 2017 | Geometry optimization Minimum | DFT | TZP | -27.93636311; Eh | |||
| 21-Dec-2018 | /Th@C86_ipr11_Th_sites th-c86-ipr11-3 | Roser, Morales | ADF; 2017 | Geometry optimization Minimum | DFT | TZP | -27.95098597; Eh |
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