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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-May-2024 | /electro-Sn/Fe5Mn0/S0 S0-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10715.4272327; Eh | |||
| 18-May-2024 | /electro-Sn/Fe5Mn0/S4 S4-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10714.7351721; Eh | |||
| 18-May-2024 | /water-insertion/Fe3Mn2/S4-Fe/TS1 TS1-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -10559.5473300; Eh | |||
| 18-May-2024 | /water-insertion/Fe3Mn2/S4-Mn/Oh Oh-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP DEF2SVP GEN | -10559.5441791; Eh | |||
| 18-May-2024 | /water-insertion/Fe3Mn2/S4-Mn/TS2 TS2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -10559.5440574; Eh | |||
| 18-May-2024 | /water-insertion/Fe5Mn0/S3/TBP TBP-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP DEF2SVP GEN | -10785.6015490; Eh | |||
| 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 |
Results 2181-2190 of 2340 (Search time: 0.003 seconds).