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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 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 T4Syn_Si_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.90233118; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 (3R,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -3571.77240700; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 (3S,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -3571.77240703; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 (3R,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -3571.77938924; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 (3S,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -3571.77937200; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 stransECrotonaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -230.951968621; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 I3_Si_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.12183137; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 T4Anti_Si_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.05564517; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Si_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.04721738; Eh |
Results 11-20 of 194 (Search time: 0.002 seconds).
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Subject
- 194 Annulation
- 194 Asymmetric catalysis
- 194 Microkinetic model
- 194 NHC catalysis
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X