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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Apr-20224Laconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31+G(D,P)-781.456436981; Eh
thumbnail.jpeg30-Mar-20226aLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2SVP-1358.19633325; Eh
thumbnail.jpeg30-Mar-2022maleimideLaconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2SVP-590.088401408; Eh
thumbnail.jpeg1-Jun-2022D_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-DEF2SVP-1716.03305055; Eh
thumbnail.jpeg1-Jun-2022F_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-DEF2SVP-1716.02063121; Eh
thumbnail.jpeg1-Jun-2022E_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-DEF2SVP-1716.03141197; Eh
thumbnail.jpeg1-Jun-2022C_don_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-DEF2SVP-1715.95984797; Eh
thumbnail.jpeg1-Jun-2022F_acc_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-DEF2SVP-1637.54037195; Eh
thumbnail.jpeg1-Jun-2022E_acc_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-DEF2SVP-1637.55029017; Eh
thumbnail.jpeg1-Jun-2022C_acc_c7_meLaconsay, CroixGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-DEF2SVP-1637.47464756; Eh
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