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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1098.99226409; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I3_Re_Down_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.12981795; Eh | ||||
7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1519.17352128; Eh | ||||
7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1519.15528205; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I3_Re_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.12376233; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 (3R,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -806.952499681; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 (3R,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -806.951706825; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I1_Et3NHBF4_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1998.82338932; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 scisECrotonaldehyde_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -230.949969665; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I1_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.09376364; Eh |
Results 1-10 of 95 (Search time: 0.001 seconds).