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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-May-2024 | /water-insertion/Fe3Mn2/S4-Mn/TS1 TS1-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10565.4280545; Eh | |||
| 18-May-2024 | /water-insertion/Fe5Mn0/S3/Oh Oh-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP DEF2SVP GEN | -10785.5830425; Eh | |||
| 18-May-2024 | /water-insertion/Fe3Mn2/S4-Mn/TS2 TS2-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10565.4264359; Eh | |||
| 18-May-2024 | /water-insertion/Fe3Mn2/S4-Fe/TS1 TS1-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10565.4286648; Eh | |||
| 18-May-2024 | /water-insertion/Fe5Mn0/S3/Oh Oh-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10791.0771157; Eh | |||
| 18-May-2024 | /oxo-coupling/Fe2Mn3-LS TS-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10527.5702736; Eh | |||
| 18-May-2024 | /oxo-coupling/Fe2Mn3-LS R-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10527.5894296; Eh | |||
| 18-May-2024 | /oxo-coupling/Fe2Mn3-LS R-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP DEF2SVP GEN | -10522.8970615; Eh | |||
| 18-May-2024 | /oxo-coupling/Fe2Mn3-LS P-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP DEF2SVP GEN | -10522.9015187; Eh | |||
| 18-May-2024 | /oxo-coupling/Fe2Mn3-HS TS-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10527.5397621; Eh |
Results 21-30 of 152 (Search time: 0.001 seconds).