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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_2 T4Anti_Si_Down_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1818.80732693; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Syn_Si_Down_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.80590724; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Re_Up_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1818.80801583; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Syn_Re_Up_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.81027401; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I6Anti_Si_Up_Trans_1VDW_complex | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2278.29056926; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I3Syn_Si_Up_Trans_1VDW_complex | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2278.25264802; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I5Syn_Si_Up_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2278.28019625; Eh | ||||
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 |
Results 151-160 of 194 (Search time: 0.002 seconds).
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Subject
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 Microkinetic model
- 194 NHC catalysis
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X