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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_m3-4 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -154.686579236; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m2-8 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -154.007014076; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-3 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | - | -154.644106199; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq C4H4O_q0_m1-16 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | - | -230.038034307; Eh | |||
 | 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 C2O_q0_m1-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | - | -151.265050623; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq C4H4O_q0_m1-15 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | - | -230.033223685; 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 C4O_q0_m1-4 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | - | -227.464267965; Eh |
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