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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 2-May-2019 | TS4_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -2679.6138424; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 I3_Si_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95565851; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Si_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.87805495; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Si_Up_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1818.79571578; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 I2I_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4763.65545429; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_2 (3S,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.13243552; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 I2_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95410005; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 I3_Si_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95382283; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 T_scis_strans_BromoCinn | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2995.76228275; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 T4Anti_Re_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.89690044; Eh |
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- 294 Imine Condensation
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