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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | /ACET/SPE BENZENE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -232.2844464; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B8A7 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2875.6724859; Eh | |||
 | 3-Oct-2019 | /ACET/SPE A3 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2798.2268409; Eh | |||
 | 3-Oct-2019 | /ACET/SPE A2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2720.8630369; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B8 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2875.6768174; Eh | |||
 | 3-Oct-2019 | /ACET/SPE A1 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3757.3307563; Eh | |||
 | 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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