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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_3 stransEBromoCinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2995.77735579; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I3_Re_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95481147; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 scisEBromoCinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2995.77566065; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 (3S,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.12691067; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 (3R,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.13080652; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 2-PhenylTropone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -575.932614077; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I2_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2190.36657465; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I1_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2190.36122252; Eh | ||||
7-Apr-2019 | /Common_species Et3NHBF4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -716.679500055; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I3_Si_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.65927505; Eh |
Results 41-50 of 95 (Search time: 0.002 seconds).