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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-Apr-2019 | /Catalytic_cycle_4 T2_Et3NHBF4_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1998.80332028; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 T4Anti_Si_Down_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.06597814; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Si_Down_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.05799025; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I2_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.11939917; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I1_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4763.65482005; 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_3 T4Anti_Si_Down_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.89948361; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I3_Si_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95565851; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 (3S,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -767.682290002; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I3_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4763.66090623; Eh |
Results 71-80 of 194 (Search time: 0.002 seconds).