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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Jun-2024 | /631Gd/D3BJ_CAM_B3LYP A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.830848094; Eh | |||
| 14-Jun-2024 | /def2SVP/D3BJ_CAM_B3LYP A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | DEF2SVP | -347.576960210; Eh | |||
| 14-Jun-2024 | /631Gd/CAM_B3LYP B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.809412678; Eh | |||
| 22-Jun-2024 | H2O | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -76.3802477833; Eh | |||
| 22-Jun-2024 | B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.809409922; Eh | |||
| 22-Jun-2024 | E | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.898392207; Eh | |||
| 22-Jun-2024 | BC8H9 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -334.841724679; Eh | |||
| 22-Jun-2024 | G | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.870717731; Eh | |||
| 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 |
Results 1-10 of 20 (Search time: 0.002 seconds).