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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | /Catalytic_cycle_3 T4Anti_Si_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -4622.88871741; Eh | ||
![]() | /Catalytic_cycle_3 T4Syn_Si_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -4622.88828927; Eh | ||
![]() | /Catalytic_cycle_3 T4Anti_Re_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -4622.89007700; Eh | ||
![]() | /Catalytic_cycle_3 T4Syn_Re_Down_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -4622.89890072; Eh | ||
![]() | /Catalytic_cycle_4 T4Anti_Si_Up_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1858.06339271; Eh | ||
![]() | /Catalytic_cycle_4 T4Syn_Re_Down_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1858.06776467; Eh |
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