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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Jun-2022TS_C_D_accLaconsay, CroixGaussian; 16; AS64L-G16RevC.01Geometry optimization TS-DEF2SVP-1598.13168584; Eh
thumbnail.jpeg1-Jun-2022TS_U_1Laconsay, CroixGaussian; 16; AS64L-G16RevC.01Geometry optimization TS-DEF2SVP-1176.04542115; Eh
thumbnail.jpeg1-Jun-2022TS_O_2Laconsay, CroixGaussian; 16; AS64L-G16RevC.01Geometry optimization TS-DEF2SVP-1251.35120577; Eh
thumbnail.jpeg1-Jun-2022TS_J_K_accLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1598.13504430; Eh
thumbnail.jpeg1-Jun-2022TS_H_I_accLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TS-DEF2SVP-1598.10629619; Eh
thumbnail.jpeg1-Jun-2022TS_G_MLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-462.475101217; Eh
thumbnail.jpeg1-Jun-2022TS_U_3Laconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TS-DEF2SVP-1176.06043407; Eh
thumbnail.jpeg1-Jun-2022TS_C_J_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1715.94858599; Eh
thumbnail.jpeg1-Jun-2022TS_C_F_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1715.94016699; Eh
thumbnail.jpeg1-Jun-2022TS_D_E_acc_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1637.53226881; Eh
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