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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-May-2019 | A5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5646327; Eh | |||
| 21-May-2019 | B1 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -3674.6287284; Eh | |||
| 21-May-2019 | A5 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | - | -1185.309328; Eh | |||
 | 3-Oct-2019 | TS_55_CONCERTED | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | - | -2785.22568918; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ WILKINSON | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3679.83632014; Eh | |||
| 21-May-2019 | TS_A3A4P_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4322716; Eh | |||
| 21-May-2019 | A4P_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5244578; Eh | |||
| 21-May-2019 | A5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5601183; Eh | |||
| 21-May-2019 | A4P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5417632; Eh | |||
| 21-May-2019 | TS_A3A4 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -3674.5687007; Eh |
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