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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 T4Anti_Re_Down_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.06040485; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Re_Down_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.04325841; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 (3S,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -806.952499686; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 (3S,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -806.951706825; 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_4 I2I_Et3NHBF4_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1998.82340986; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I2_Et3NHBF4_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1998.82347215; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I3_Si_Down_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.13027703; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I3_Et3NHBF4_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1998.83108301; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 T3_Et3NHBF4_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1998.79983013; Eh |
Results 61-70 of 194 (Search time: 0.001 seconds).
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Subject
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 NHC catalysis
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X