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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2022D_Ole13cat_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.71900129; Eh
thumbnail.jpeg1-Dec-2022C_Lup20catShiftTSircFmin_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.72058411; Eh
thumbnail.jpeg1-Dec-2022G_Cam10catSCANOPENb_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.67184320; Eh
thumbnail.jpeg1-Dec-2022H_PrePrePreamrynCat_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.69924511; Eh
thumbnail.jpeg1-Dec-2022A_Lup20cat_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.69444216; Eh
thumbnail.jpeg1-Dec-2022F_Cam10catSCANOPEN_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.68351212; Eh
thumbnail.jpeg1-Dec-2022G_Cam10catC_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.67835057; Eh
thumbnail.jpeg1-Dec-2022E_PreTarcat_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.70334299; Eh
thumbnail.jpeg1-Dec-2022IJts_PrePreamrynCattoPreTS_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.69531998; Eh
thumbnail.jpeg1-Dec-2022I_PrePreamrynCat_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1248.71444455; Eh
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