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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Mar-2022TS_DALaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP-1358.12022632; Eh
thumbnail.jpeg1-Jun-2022TS_J_K_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1715.94948354; Eh
thumbnail.jpeg1-Jun-2022TS_D_E_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1716.01586433; Eh
thumbnail.jpeg1-Jun-2022TS_H_I_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1715.93129547; Eh
thumbnail.jpeg1-Jun-2022TS_J_K_donLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1676.62082201; Eh
thumbnail.jpeg1-Jun-2022TS_C_F_accLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TS-DEF2SVP-1598.13303101; Eh
thumbnail.jpeg1-Jun-2022TS_O_1Laconsay, CroixGaussian; 16; AS64L-G16RevC.01Geometry optimization TS-DEF2SVP-1251.29917723; Eh
thumbnail.jpeg1-Jun-2022TS_C_F_donLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TS-DEF2SVP-1676.61552967; Eh
thumbnail.jpeg1-Jun-2022TS_C_D_donLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TS-DEF2SVP-1676.61459628; Eh
thumbnail.jpeg1-Jun-2022TS_C_H_donLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1676.62086461; Eh
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