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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jan-2024 | im4 | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.43051845; Eh | |||
 | 8-Jan-2024 | trans | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.46370334; Eh | |||
 | 18-May-2024 | /electro-Sn/Fe0Mn5/S2 S2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | GEN | -10145.9773518; Eh | |||
| 18-May-2024 | /electro-Sn/Fe0Mn5/S1 S1-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | GEN | -10146.4716410; Eh | |||
| 18-May-2024 | /electro-Sn/Fe0Mn5/S0 S0-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | GEN | -10146.8699966; Eh | |||
| 18-May-2024 | /electro-Sn/Fe3Mn2/S2-3E S2-3E-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10484.0443745; Eh | |||
| 18-May-2024 | /electro-Sn/Fe3Mn2/S1-3D S1-3D-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10484.5595483; Eh | |||
| 18-May-2024 | /electro-Sn/Fe3Mn2/S1-3B S1-3B-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10484.5513843; Eh | |||
| 18-May-2024 | /electro-Sn/Fe3Mn2/S1-3A S1-3A-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10484.5367191; Eh | |||
| 18-May-2024 | /electro-Sn/Fe3Mn2/S1-3C S1-3C-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10484.5308339; Eh |
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