Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Nov-2023 | /Comparison 48 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2TZVP | -614.914710089; Eh | |||
 | 12-Aug-2023 | Propellane | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -193.809781014; Eh | |||
 | 16-May-2023 | IM8_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | DEF2SVPP | -3983.87620942; Eh | |||
 | 16-May-2023 | IM8_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | DEF2SVPP | -3983.88140049; Eh | |||
 | 16-May-2023 | TMSF | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | DEF2SVPP | -508.835337593; Eh | |||
 | 16-May-2023 | IM5 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | DEF2SVPP | -3228.73197420; Eh | |||
 | 12-Aug-2023 | 46 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -974.189161211; Eh | |||
 | 12-Aug-2023 | 41 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -857.593429186; Eh | |||
 | 16-May-2023 | IM7_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | DEF2SVPP | -3983.86108987; Eh | |||
 | 16-May-2023 | IM7_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | DEF2SVPP | -3983.86165778; Eh |
Results 11-20 of 33 (Search time: 0.001 seconds).