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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 T1_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4046.91867213; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 I2I_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2190.36242457; 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 | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 T3_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -2190.34714402; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_2 T4Syn_Re_Down_Cis_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.81027401; Eh | |||
 | 7-Apr-2019 | /Common_species NHC_carbene | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1051.13539512; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_2 Tropone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -345.134509920; Eh | |||
 | 7-Apr-2019 | /Common_species Et3N | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -292.038515828; Eh |
Results 341-350 of 519 (Search time: 0.002 seconds).