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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Oct-2023 | /GeomOpt_PBEPBE_GD3MBJ Ru26 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1532.6854014; Eh | |||
 | 6-Oct-2023 | /GeomOpt_PBEPBE_GD3MBJ 11 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -923.9324822; Eh | |||
 | 6-Oct-2023 | /GeomOpt_PBEPBE_GD3MBJ 9 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1238.3599649; Eh | |||
 | 6-Oct-2023 | /GeomOpt_PBEPBE_GD3MBJ pyridine | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -247.8995485; Eh | |||
 | 6-Oct-2023 | /GeomOpt_PBEPBE_GD3MBJ Ru13_11 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2209.1780484; Eh | |||
 | 6-Oct-2023 | /GeomOpt_PBEPBE_GD3MBJ Ru19_9 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2449.4612798; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M17 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2400.9442027; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M18 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2400.9285127; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M20 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2055.6609836; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M19 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2055.7062871; Eh |
Results 11-20 of 49 (Search time: 0.002 seconds).
Discover
Subject