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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_m2-3 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.069679484; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq C4O_q0_m3-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -227.489936598; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-3 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.975477776; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq C_q0_m3-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -37.8572670751; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-13 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.057338454; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-14 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.028117014; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-12 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.022534629; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-13 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.964862859; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-14 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.981909483; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-4 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.018951358; Eh |
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- 102 Gaussian