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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_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.90409879; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Re_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.90943406; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_2 T4Syn_Re_Down_Trans_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.78334208; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Re_Down_Trans_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.79304599; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_1 (3S,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.13243552; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 T1_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4046.91867213; Eh | ||||
| 7-Apr-2019 | /Common_species Triazolium_tetrafluoroborate | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1475.78812197; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_1 I3_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2190.36713622; Eh | ||||
| 7-Apr-2019 | /Common_species Carbene_Et3NHBF4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1767.83862757; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Re_Down_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.80779613; Eh |
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