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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 C1_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | - | -3239.1870774; Eh | ||||
3-Oct-2019 | /SPE A3_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5269417; Eh | ||||
3-Oct-2019 | /SPE B1_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.4916476; Eh | ||||
3-Oct-2019 | /SPE A8_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5922353; Eh | ||||
3-Oct-2019 | /SPE A2_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -2368.2646975; Eh | ||||
3-Oct-2019 | /SPE A6_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5700677; Eh | ||||
22-Oct-2020 | TS_C70_beta | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06 | CC-PVTZ | -3851.0584416; Eh |
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