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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_3 I1_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4763.65482005; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Re_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -4622.89592760; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Si_Down_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.88830715; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 (3R,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.12691191; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 stransEBromoCinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2995.77735579; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 I3_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4763.66090623; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 I3_Re_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95481147; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 I3_Re_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.96020655; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 scisEBromoCinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2995.77566065; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 (3S,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.12691067; Eh |
Results 21-30 of 194 (Search time: 0.001 seconds).
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Subject
- 194 Annulation
- 194 Cycloaddition
- 194 Microkinetic model
- 194 NHC catalysis
Program name
- 194 Gaussian
Calculation type