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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 C2_q0_m3-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -75.9381105604; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-6 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.694849901; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq CO_q0_m3-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -113.134185911; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-17 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.622390737; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-5 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.664680448; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-19 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.723602681; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H_q0_m2-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -0.502256981542; 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 |
Results 1-10 of 102 (Search time: 0.001 seconds).