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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | TS_56d_CONCERTED | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -2785.22292762; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6PA7P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3011.68803019; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6A7_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4048.11372625; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6A7 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4048.13669984; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B4PPB5PP_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -2934.27367080; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ A3PA4 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -2798.07086484; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4PA5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.15249285; Eh | |||
 | 3-Oct-2019 | TS2_56d_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | UB3LYP | - | -2785.22810934; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4A5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.10513394; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A2A3 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3674.25695814; Eh |
Results 11-20 of 201 (Search time: 0.001 seconds).