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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 EpiI3_CisDD_to_TransDU_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -3863.80197292; 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_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1059.70494067; Eh | |||
![]() | 7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiT4_CisDD_to_TransDU_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1059.70430901; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 I3_Re_Up_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.12823045; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Si_Down_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.05659239; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T4Anti_Si_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.89325543; 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 T4Syn_Si_Down_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.88830715; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_2 (3S,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -767.682290002; Eh |
Results 61-70 of 194 (Search time: 0.001 seconds).
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Subject
- 194 Annulation
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 Microkinetic model
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X