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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Sep-2026 | /substrate-assisted pathway INT8-b | Wang, Yingying; Bo, Carles; Hugo, Salazar | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | 6-311G(D,P) | -1320.01221555; Eh | |||
| 8-Sep-2026 | /Two-TBD INT6-a | Wang, Yingying; Bo, Carles; Hugo, Salazar | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | 6-311G(D,P) | -1758.84428094; Eh | |||
| 8-Sep-2026 | /Two-TBD INT7-a | Wang, Yingying; Bo, Carles; Hugo, Salazar | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | 6-311G(D,P) | -1758.83919752; Eh | |||
| 8-Sep-2026 | /one TBD INT3 | Wang, Yingying; Bo, Carles; Hugo, Salazar | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | 6-311G(D,P) | -1320.00087233; Eh | |||
| 8-Sep-2026 | /one TBD TS2 | Wang, Yingying; Bo, Carles; Hugo, Salazar | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | wb97xd | 6-311G(D,P) | -1319.98718370; Eh | |||
| 8-Sep-2026 | /Two-TBD INT4a | Wang, Yingying; Bo, Carles; Hugo, Salazar | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | 6-311G(D,P) | -1758.85310688; Eh | |||
| 8-Sep-2026 | /one TBD TS4 | Wang, Yingying; Bo, Carles; Hugo, Salazar | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | wb97xd | 6-311G(D,P) | -1319.97709739; Eh |
Results 104151-104157 of 104157 (Search time: 0.062 seconds).
Discover
Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
- next >