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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_1 I2_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66082930; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 I1_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.63619058; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 T1_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1473.62172308; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 T1_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1473.62566406; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 T4Anti_Re_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.24203280; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 T4Syn_Re_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -2278.23161868; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 I3_Re_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66018515; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 T4Anti_Re_Up_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.24764696; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 I3_Re_Up_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66026869; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 T4Anti_Si_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.23981902; Eh |
Results 171-180 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