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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_1 stransECinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -422.485822172; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 T_scis_strans_Cinn | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -422.470454513; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 2-ChloroTropone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -804.581464676; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 scisECinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -422.484068737; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 I1_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.63104135; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 I1_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1473.63619058; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 T1_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1473.62172308; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_1 T1_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1473.62566406; 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 |
Results 1-10 of 194 (Search time: 0.001 seconds).