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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/S2 S2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP DEF2SVP GEN | -10709.4419035; Eh | |||
| 18-May-2024 | /electro-Sn/Fe5Mn0/S3 S3-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP DEF2SVP GEN | -10708.8494733; Eh | |||
 | 8-Jan-2024 | im2-trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5866853; Eh | |||
 | 8-Jan-2024 | im3-trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5908982; Eh | |||
 | 8-Jan-2024 | im4-trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5879731; Eh | |||
 | 8-Jan-2024 | im4-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5954347; Eh | |||
 | 8-Jan-2024 | im3-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5867125; Eh | |||
 | 8-Jan-2024 | trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6288823; Eh | |||
 | 8-Jan-2024 | im3-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5905294; Eh | |||
 | 8-Jan-2024 | im2-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5921096; Eh |
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