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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Dec-2017 | C72Cl4 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.45098724; Eh | |||
 | 7-May-2019 | Three_MIIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -4819.618085616211; nonsi:hartree | |||
 | 7-May-2019 | Two_MIIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -4184.284151457825; nonsi:hartree | |||
 | 2-Aug-2019 | u2c78_1 | Roser, Morales | ADF; 2017 | Geometry optimization | BLYP | TZP | -61.43003020; Eh | |||
 | 14-May-2019 | /1-4 CF-U2-triplet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.76318511; Eh | |||
 | 14-May-2019 | /1-4 CF-U2-nonet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.78683556; Eh | |||
 | 11-Dec-2017 | C72Cl3 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.35778389; Eh | |||
 | 7-May-2019 | Two_MIB | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -13491.40253387333; nonsi:hartree | |||
 | 7-May-2019 | Three_MII | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -1239.7165119308866; nonsi:hartree | |||
 | 29-Sep-2020 | TEA | Masip, Albert | ADF; 2017 | Geometry optimization | BP86 | TZ2P | -5.48365514; Eh |
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