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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 C3P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1345738; Eh | ||||
3-Oct-2019 | /SPE TS_C1C2_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1414102; Eh | ||||
3-Oct-2019 | /SPE C2P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.142352; Eh | ||||
3-Oct-2019 | /SPE TS_C2C3_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1371696; Eh | ||||
3-Oct-2019 | /SPE C1P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1286656; Eh | ||||
3-Oct-2019 | /SPE TS_C1C2P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.0955597; Eh | ||||
3-Oct-2019 | /SPE TS_C2C3P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1250378; Eh | ||||
3-Oct-2019 | /SPE C2_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1428578; Eh |
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