Browsing by Subject Fullerenes
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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 A7_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.431312; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A7A8 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.4329943; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A7A8_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.4087242; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A7P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3011.9669972; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A7P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3011.9336251; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A7PA8P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3011.928297; Eh | |||
 | 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 A8 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.4628625; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A8_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.4833552; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A8P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3011.9893869; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A8P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3011.9206873; 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 A9_66 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5084.9571144; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE ACETYLENE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -77.3433483; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4930.114313; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B3 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5007.4887501; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B3B4 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5007.4580661; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B3B4_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5007.4463286; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B4 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5007.5151873; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B4_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -5007.5047623; Eh |