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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Jun-2017 | _cis-anti-cis__Ester-substituted_bis-pyrrolidine_hexa-adducts_of | Azmani, Khalid | ADF; 2016 | Geometry optimization | DFT | TZP | -46.60354464; Eh | |||
 | 16-Jun-2017 | _cis-syn-cis__Ester-substituted_bis-pyrrolidine_hexa-adducts_of_ | Azmani, Khalid | ADF; 2016 | Geometry optimization | DFT | TZP | -46.60266884; Eh | |||
 | 16-Jun-2017 | _cis-syn-cis__Pyridyl-substituted_bis-pyrrolidine_hexa-adducts_o | Azmani, Khalid | ADF; 2016 | Geometry optimization | DFT | TZP | -50.23086059; Eh | |||
 | 16-Jun-2017 | Mono-(pyridyl-pyrrolidine)_penta-adduct_of_C60 | Azmani, Khalid | ADF; 2016 | Geometry optimization | DFT | TZP | -43.94516650; Eh | |||
 | 16-Jun-2017 | Mono-(Ester-pyrrolidine)_penta-adduct_of_C60 | Azmani, Khalid | ADF; 2016 | Geometry optimization | DFT | TZP | -42.12884089; Eh | |||
 | 30-Jan-2017 | /U@C82/U@C82_opt U@C82_9_B_triplet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.54272213; Eh | |||
| 30-Jan-2017 | /U@C82/U@C82_opt U@C82_9_B_quintet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.54172949; Eh | |||
| 30-Jan-2017 | /U@C82/U@C82_opt U@C82_5_A_quintet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.52517243; Eh | |||
| 30-Jan-2017 | /U@C82/U@C82_opt U@C82_5_A_triplet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.53972430; Eh | |||
 | 16-Jun-2017 | _cis-anti-cis__pyridyl-substituted_bis-pyrrolidine_hexa-adducts_ | Azmani, Khalid | ADF; 2016 | Geometry optimization | DFT | TZP | -50.23202383; Eh |
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