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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_1 T4Anti_Re_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.25962357; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I3_Re_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66489507; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I1_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.63104135; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I2_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66082930; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I1_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.63619058; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 T1_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1473.62172308; Eh | ||||
7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiT2_CisDD_to_TransDU_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1098.97091643; Eh | ||||
7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1098.97159709; Eh | ||||
7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1519.15691124; Eh | ||||
7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -3863.80197292; Eh |
Results 221-230 of 257 (Search time: 0.002 seconds).