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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
3-Oct-2019 | /SPE CATALYST_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2454.7608612; Eh | ||||
3-Oct-2019 | /SPE DIYNE_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | - | -954.1609173; Eh | ||||
3-Oct-2019 | /SPE C60_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | - | -2286.6606844; Eh | ||||
3-Oct-2019 | /SPE PRODUCT_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | - | -3240.9053708; Eh |
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