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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -10522.8786683; 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-HS TS-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -10522.8465557; 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 | |||
| 18-May-2024 | /oxo-coupling/Fe2Mn3-HS R-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10527.5686667; Eh | |||
| 18-May-2024 | /oxo-coupling/Fe2Mn3-LS P-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10527.591932; Eh |
Results 2191-2200 of 2340 (Search time: 0.003 seconds).