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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-May-2024 | /thermal/Fe3Mn2/cc1 cc1-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10490.0359652; Eh | |||
| 17-May-2024 | /thermal/Fe4Mn1/a3 a3-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10602.710446; Eh | |||
| 17-May-2024 | /thermal/Fe3Mn2/cc2 cc2-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10490.0474089; Eh | |||
| 17-May-2024 | /thermal/Fe4Mn1/a2 a2-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10602.6845832; Eh | |||
| 17-May-2024 | /thermal/Fe4Mn1/a1 a1-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10602.7202536; Eh | |||
| 17-May-2024 | /thermal/Fe1Mn4/a2 a2-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10264.5900356; Eh | |||
| 17-May-2024 | /thermal/Fe1Mn4/a1 a1-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10264.6162107; Eh | |||
| 18-May-2024 | /water-insertion/Fe3Mn2/S4-Mn/Oh Oh-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10565.4268112; Eh | |||
| 18-May-2024 | /electro-Sn/Fe2Mn3/S3-2E S3-2E-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10376.848328; Eh | |||
| 18-May-2024 | /electro-Sn/Fe2Mn3/S3H-2G S3H-2G-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10376.839185; Eh |
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