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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiT2_CisDD_to_TransDU_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1098.97091643; Eh | |||
 | 7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1098.97159709; Eh | |||
 | 7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1519.15691124; Eh | |||
 | 7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -3863.80197292; Eh | |||
 | 7-Apr-2019 | /Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1059.70494067; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_4 I3_Re_Up_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.12823045; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_3 T4Anti_Si_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.89325543; Eh | |||
 | 7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Si_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.04721738; Eh | |||
 | 2-May-2019 | TS2_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -3176.7293936; Eh | |||
 | 2-May-2019 | product_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -731.6337779; Eh |
Results 431-440 of 467 (Search time: 0.002 seconds).