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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.118263854; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.997822805; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-5 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.998002042; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4O_q0_m2-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -229.386954865; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3CO_q0_m2-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -115.092244718; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4O_q0_m2-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -229.362694426; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H2C3O_q0_m3-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -190.552361750; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq HC4_q0_m2-6 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -152.763808107; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H2C3_q0_m3-4 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -115.273687510; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-16 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.634040952; Eh |
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- 102 Gaussian