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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2018 | TS-SS-13 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2444.84534098; Eh | |||
 | 9-Feb-2018 | TS-RR-13 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2444.84935352; Eh | |||
 | 9-Feb-2018 | BTM-Ac | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1318.11952520; Eh | |||
 | 9-Feb-2018 | HOAc | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -229.072877151; Eh | |||
 | 9-Feb-2018 | D | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -898.073679102; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Si_Up_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1818.79571578; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Re_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -4622.89592760; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 T2_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -2190.34220850; Eh | |||
 | 7-Apr-2019 | /Common_species T0 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1767.83582849; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 T4Syn_Re_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -2278.23161868; Eh |
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