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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Jun-2024 | C | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.833754735; Eh | |||
| 22-Jun-2024 | F | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.808882693; Eh | |||
| 14-Jun-2024 | /def2SVP/D3BJ_CAM_B3LYP B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | DEF2SVP | -347.572501787; Eh | |||
| 14-Jun-2024 | /def2SVP/CAM_B3LYP A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | DEF2SVP | -347.560590137; Eh | |||
| 14-Jun-2024 | /631Gd/CAM_B3LYP A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.814456762; Eh | |||
| 14-Jun-2024 | /631Gd/D3BJ_CAM_B3LYP B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.825190588; Eh | |||
| 14-Jun-2024 | /def2SVP/CAM_B3LYP B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | DEF2SVP | -347.556745394; Eh | |||
| 22-Jun-2024 | INT | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -424.208718303; Eh | |||
| 22-Jun-2024 | 1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -424.210660434; Eh | |||
| 22-Jun-2024 | H | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.850514342; Eh |
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- 6 TD-FC