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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_m2-12 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -154.050922243; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-10 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -154.055689317; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-7 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -154.067792751; 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 H3C3_q0_m4-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -115.901992409; 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 H3C4_q0_m4-9 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -153.931492723; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq HC4_q0_m4-3 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -152.680390985; Eh |
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