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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.12013886; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ C7_66 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.26172002; 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 B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.14686589; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ C7P_66 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3011.80400143; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3011.69832995; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B5_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -5084.54789706; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B5P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3970.77701776; 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 B5P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3970.78159766; Eh |
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