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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Oct-2020 | TS_C70_beta | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4041852; Eh | |||
 | 22-Oct-2020 | TS_C60 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3471.279508; Eh | |||
 | 22-Oct-2020 | PRODUCT_C70_alpha_bis | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4775485; Eh | |||
 | 22-Oct-2020 | TS_C70_alpha | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4065991; Eh | |||
 | 22-Oct-2020 | RC_C70_alpha | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4295114; Eh | |||
 | 22-Oct-2020 | RC_C60 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3471.3052608; Eh | |||
 | 22-Oct-2020 | DIENE | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -1185.1069132; Eh | |||
 | 22-Oct-2020 | PRODUCT_C60 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3471.3511626; Eh | |||
 | 22-Oct-2020 | C60 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -2286.1876382; Eh | |||
 | 22-Oct-2020 | C70 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -2667.3123052; Eh |
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