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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 T4Anti_Re_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point TS | RM062X | - | -4622.89007700; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Syn_Si_Up_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.80592378; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 T4Syn_Re_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.26226208; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 T4Anti_Re_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.25959811; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I3_Re_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66516306; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 T4Syn_Re_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.26226208; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I3_Si_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66762024; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 T4Anti_Si_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.25714422; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 T4Syn_Si_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2278.24429473; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 I3_Si_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.66228572; Eh |
Results 31-40 of 194 (Search time: 0.001 seconds).
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Subject
- 194 Annulation
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 NHC catalysis
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X