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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 T1_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1282.08456519; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 T1_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1282.08706201; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I3_Si_Down_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.96295166; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 T2_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4763.63566518; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Si_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.87805495; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Si_Up_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1818.79571578; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 (3S,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.13243552; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I2_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95410005; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I2I_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4763.65545429; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_3 I3_Re_Down_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95871520; Eh |
Results 41-50 of 216 (Search time: 0.002 seconds).
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Subject
- 194 Annulation
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 Microkinetic model
- 194 NHC catalysis
- 22 Enantioselectivity
- 22 Iodine
Program name
- 216 Gaussian
Calculation type