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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 H4C4_q0_m3-18 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -154.636693665; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-5 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.093050430; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.030116340; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-14 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.677092102; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-10 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -153.944373202; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-4 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -153.958115177; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq C2O_q0_m3-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -151.304953344; Eh | |||
 | 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 |
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