Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Oct-2023 | /functional_selection geo_opt_wb97xd_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311+G(D,P) | -1155.08070751; Eh | ||||
2-Oct-2023 | /functional_selection geo_opt_wb97xd_3f | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311+G(D,P) | -1359.57896229; Eh | ||||
2-Oct-2023 | /functional_selection geo_opt_wb97xd_3h | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311+G(D,P) | -1588.62109129; Eh | ||||
2-Oct-2023 | /functional_selection geo_opt_wb97xd_3b | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311+G(D,P) | -1269.59997363; Eh | ||||
2-Oct-2023 | /functional_selection geo_opt_wb97xd_3j | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311+G(D,P) | -1462.24978734; Eh | ||||
18-Sep-2023 | /method_selection azapent_wb97xd | Mayer, Péter | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-311+G(D,P) | -592.366720107; Eh |
Results 1-6 of 6 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 6 Gaussian