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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 | /631Gd/D3BJ_CAM_B3LYP TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RCAM-B3LYP | 6-31G(D) | -347.822921298; Eh | |||
| 14-Jun-2024 | /631Gd/CAM_B3LYP TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RCAM-B3LYP | 6-31G(D) | -347.807162494; Eh | |||
| 14-Jun-2024 | /def2SVP/D3BJ_CAM_B3LYP TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RCAM-B3LYP | DEF2SVP | -347.569675462; 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 | |||
| 14-Jun-2024 | /631Gd/CAM_B3LYP TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RCAM-B3LYP | 6-31G(D) | -347.810360097; 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 | TS7 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RCAM-B3LYP | 6-31G(D) | -347.801359428; Eh | |||
| 22-Jun-2024 | B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.809409922; Eh |
Results 1-10 of 46 (Search time: 0.0 seconds).