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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 31-Mar-2025 | Hept_53 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0917318; Eh |
Results 601-601 of 601 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 601 Gaussian
Calculation type
Method
- 299 RB3LYP
- 167 RwB97XD
- 102 RM06L
- 69 UB3LYP
- 37 UwB97XD
- 15 RM062X
- 12 RCAM-B3LYP
- 8 UCAM-B3LYP