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Collection hits:
| Collection Name |
|---|
| au_thiol_interface |
| break_point |
| break_point_analysis |
| conformational_dualism |
| cumulenes |
| current_density_mo |
| ELM-Forces |
| heat_insulator |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Jan-2025 | /eam/1e-5 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
 | 16-Jan-2025 | /eam/1e-6 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - |
Results 191-200 of 205 (Search time: 0.002 seconds).
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Subject
Method
- 120 GGAPBE
- 43 RPBEPBE
- 10 RPBE1PBE
- 4 RM052X
- 2 RHF
- 1 RDSDPBEP86-FC
- 1 RrevTPSSrevTPSS
- 1 RwB97XD