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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2023 | 4_F-_at_carbon_gas_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1467.33917073; Eh | |||
 | 24-Jul-2023 | 4_H-_at_carbon_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1368.33839018; Eh | |||
 | 24-Jul-2023 | 4_deprot_Me_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1367.05242968; Eh | |||
 | 24-Jul-2023 | Me3SiF_gas_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -508.38045834; Eh | |||
 | 24-Jul-2023 | 4_F-_at_carbon_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1467.40896911; Eh | |||
 | 24-Jul-2023 | 4_deprot_DHP-pos2_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1367.06395759; Eh | |||
 | 24-Jul-2023 | 4_deprot_DHP-pos3_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1367.05475633; Eh | |||
 | 21-Feb-2024 | F_relaxed_scan | Novotny, Jan | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | def2-TZVPP | -1515.41990541; Eh |
Results 31-38 of 38 (Search time: 0.001 seconds).
Discover
Subject