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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/SPE A7PA8P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3011.9093914; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A9_66 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5084.9571144; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A9_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5084.9562975; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B4PP | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2934.5356734; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.4355982; Eh | |||
 | 3-Oct-2019 | /ACET/SPE A8 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2953.1721311; Eh | |||
 | 3-Oct-2019 | /ACET/OPTFREQ B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -1839.12236546; Eh | |||
 | 3-Oct-2019 | /ACET/OPTFREQ C5 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -802.650139756; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B4PB5P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3970.9802075; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A6C7_66 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.3918332; Eh |
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