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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2018 | /2_electrons/1_H+/Mo2O2S8H B2 | Bandeira, Nuno | ADF; 2017 | Geometry optimization TS | DFT | TZ2P | -3.22156685; Eh | |||
 | 19-Sep-2018 | /2_electrons/1_H+/Mo2O2S8H B3 | Bandeira, Nuno | ADF; 2017 | Geometry optimization Minimum | DFT | TZ2P | -3.22122281; Eh | |||
 | 19-Sep-2018 | /1_electron/2_H+/Mo2O2S8H2 BA2 | Bandeira, Nuno | ADF; 2017 | Geometry optimization Minimum | DFT | TZ2P | -3.04927364; Eh | |||
 | 19-Sep-2018 | /1_electron/2_H+/Mo2O2S8H2 BC1 | Bandeira, Nuno | ADF; 2017 | Geometry optimization Minimum | DFT | TZ2P | -3.03127574; Eh | |||
 | 19-Sep-2018 | /1_electron/2_H+/Mo2O2S8H2 BA1 | Bandeira, Nuno | ADF; 2017 | Geometry optimization Minimum | DFT | TZ2P | -3.05011754; Eh | |||
 | 19-Sep-2018 | /0_electrons/2_H+/Mo2O2S8H2 BB6 | Bandeira, Nuno | ADF; 2017 | Geometry optimization TS | DFT | TZ2P | -2.90417529; Eh | |||
 | 19-Sep-2018 | /0_electrons/2_H+/Mo2O2S8H2 BB7 | Bandeira, Nuno | ADF; 2017 | Geometry optimization TS | DFT | TZ2P | -2.90447036; Eh | |||
 | 19-Sep-2018 | /0_electrons/1_H+/W2O2S8H B3 | Bandeira, Nuno | ADF; 2017 | Geometry optimization TS | DFT | TZ2P | -2.96374772; Eh | |||
 | 19-Sep-2018 | /0_electrons/1_H+/W2O2S8H B2 | Bandeira, Nuno | ADF; 2017 | Geometry optimization Minimum | DFT | TZ2P | -2.97753086; Eh | |||
 | 19-Sep-2018 | /0_electrons/0_H+ W2O2S8(2-) | Bandeira, Nuno | ADF; 2017 | Geometry optimization Minimum | DFT | TZ2P | -3.01446985; Eh |
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