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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_2 T4Anti_Si_Down_Trans_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.79046062; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Syn_Si_Down_Trans_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.79095131; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Si_Up_Trans_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.79132280; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_1 T2_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -2190.34220850; Eh | ||||
7-Apr-2019 | /Catalytic_cycle_2 T4Syn_Si_Up_Trans_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.78365638; Eh | ||||
7-Apr-2019 | /Common_species Et3NHBF4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -716.679500055; Eh | ||||
7-Apr-2019 | /Common_species T0 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1767.83582849; 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 I3_Si_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.65927505; 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 |
Results 91-100 of 194 (Search time: 0.002 seconds).
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Subject
- 194 Annulation
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 Microkinetic model
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X