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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Jun-2022TS_D_E_donLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TS-DEF2SVP-1676.67622629; Eh
thumbnail.jpeg1-Jun-2022TS_C_J_donLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1676.62749787; Eh
thumbnail.jpeg1-Jun-2022TS_C_H_accLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1598.12971612; Eh
thumbnail.jpeg1-Jun-2022TS_C_J_accLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-DEF2SVP-1598.13102305; Eh
thumbnail.jpeg1-Jun-2022TS_D_ELaconsay, CroixGaussian; 16; AS64L-G16RevC.01Geometry optimization TS-DEF2SVP-1598.19345100; Eh
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