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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 (3R,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -806.952499681; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Re_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.06585532; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 (3R,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -806.951706825; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I1_Et3NHBF4_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1998.82338932; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 scisECrotonaldehyde_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -230.949969665; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 T_scis_strans_Crot | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -230.937033342; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I1_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.09376364; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_4 I1_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.09718875; Eh | ||||
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 |
Results 11-20 of 194 (Search time: 0.002 seconds).
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Subject
- 194 Annulation
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 NHC catalysis
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Method
- 194 RM062X