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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Jun-2019 | /OPTFREQ TS_A4A5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | cc-pVDZ | -4020.10393955; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A4 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | cc-pVDZ | -3674.31017353; Eh |
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