Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/Catalytic_cycle_1 2-ChloroTropone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -804.581464676; Eh | |||
/Catalytic_cycle_1 stransECinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -422.485822172; Eh | |||
/Catalytic_cycle_1 scisECinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -422.484068737; Eh | |||
/Catalytic_cycle_1 T_scis_strans_Cinn | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -422.470454513; Eh | |||
/Catalytic_cycle_1 T1_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.62566406; Eh | |||
/Catalytic_cycle_1 I1_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.63619058; Eh | |||
/Catalytic_cycle_1 T1_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.62172308; Eh | |||
/Catalytic_cycle_1 I1_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.63104135; Eh | |||
/Catalytic_cycle_1 I2_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.66082930; Eh | |||
/Catalytic_cycle_1 I3_Re_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.66489507; Eh | |||
/Catalytic_cycle_1 T4Anti_Re_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.25962357; Eh | |||
/Catalytic_cycle_1 T4Syn_Re_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.26226208; Eh | |||
/Catalytic_cycle_1 I3_Re_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.66516306; Eh | |||
/Catalytic_cycle_1 T4Anti_Re_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.25959811; Eh | |||
/Catalytic_cycle_1 T4Syn_Re_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.26226208; Eh | |||
/Catalytic_cycle_1 I3_Si_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.66762024; Eh | |||
/Catalytic_cycle_1 T4Anti_Si_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.25714422; Eh | |||
/Catalytic_cycle_1 T4Syn_Si_Down_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.24429473; Eh | |||
/Catalytic_cycle_1 I3_Si_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.66228572; Eh | |||
/Catalytic_cycle_1 T4Anti_Si_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.23981902; Eh | |||
/Catalytic_cycle_1 T4Syn_Si_Up_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.25584049; Eh | |||
/Catalytic_cycle_1 I3_Re_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.66018515; Eh | |||
/Catalytic_cycle_1 T4Anti_Re_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.24203280; Eh | |||
/Catalytic_cycle_1 T4Syn_Re_Down_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -2278.23161868; Eh | |||
/Catalytic_cycle_1 I3_Re_Up_Trans_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | RM062X | - | -1473.66026869; Eh |
Results 1-25 of 194 (Search time: 0.022 seconds).