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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 A1 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3757.3307563; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A5 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1761.7719326; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A3 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2798.2268409; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE A2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2720.8630369; Eh | |||
 | 3-Oct-2019 | /ACET/SPE WILKINSON | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -3679.9782441; Eh | |||
 | 3-Oct-2019 | /ACET/SPE PPH3 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1036.4227442; Eh | |||
 | 3-Oct-2019 | /ACET/SPE A3PA4 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2798.1932561; Eh | |||
 | 3-Oct-2019 | /ACET/SPE C6C7 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -802.7315777; Eh | |||
 | 3-Oct-2019 | /ACET/SPE C5C6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -802.700525; Eh | |||
 | 3-Oct-2019 | /ACET/SPE C7 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -802.7570172; Eh |
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- 102 Cyclotrimerization
- 102 Fullerenes