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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jul-2018 | /Cr2Zn/230 Geometry_Optization | Spivak, Mariano | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -20.83346606; Eh | |||
 | 14-May-2019 | /1-4 CF-U2-quintet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.77048399; Eh | |||
 | 14-May-2019 | /1-4 CF-U2-singlet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.77048399; Eh | |||
 | 14-May-2019 | /1-2 CF-U2-nonet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.88017463; Eh | |||
 | 16-Feb-2018 | Compound6 | Poblet, Josep M. | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -5979.48907113; Eh | |||
 | 11-Dec-2017 | C72Cl | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.17910328; Eh | |||
 | 11-Dec-2017 | C72Cl2 | Moreno Vicente, Antonio | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -23.28218781; Eh | |||
 | 7-May-2019 | Three_MIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -4971.229641937674; nonsi:hartree | |||
 | 7-May-2019 | Two_MIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -4184.239268424509; nonsi:hartree | |||
 | 7-May-2019 | Three_MI | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -1391.3746755632349; nonsi:hartree |
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- 3 2016