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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 A1_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -2368.2506722; Eh | ||||
3-Oct-2019 | /SPE B2_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5141049; Eh | ||||
3-Oct-2019 | /SPE C3_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | - | -3239.1759004; Eh | ||||
3-Oct-2019 | /SPE A9_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | - | -3239.200371; Eh | ||||
3-Oct-2019 | /SPE TS_A3A4_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5203002; Eh | ||||
3-Oct-2019 | /SPE TS_A5A6_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5529042; Eh | ||||
3-Oct-2019 | /SPE TS_B1B2_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.4557948; Eh | ||||
3-Oct-2019 | /SPE B3_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5131554; Eh | ||||
3-Oct-2019 | /SPE A7_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5694206; Eh | ||||
3-Oct-2019 | /SPE A5_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.582195; Eh |
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