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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | TS1_56d_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -2785.22389201; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B4PB5P | Artigas, Albert | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -3970.73552411; Eh | |||
 | 3-Oct-2019 | TS1_56d_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | - | -2785.22537826; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B3B4_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -5007.15867776; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B4 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -5007.24180452; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ A3P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -2798.09392815; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B5P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3971.0175093; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B5B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1839.1736592; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE WILKINSON | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3679.9782436; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE PRODUCT_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2441.392158; Eh |
Results 11-20 of 168 (Search time: 0.0 seconds).