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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 B6_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.3663417; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B7 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1839.2148759; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.3915702; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B6B7 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1839.20243; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B5PP_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2934.5136081; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B5 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -5084.57432455; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B5PP | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2934.5378952; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1839.2051095; 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 | /C60ACET/OPTFREQ B3B4_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -5007.15867776; Eh |
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- 108 Gaussian