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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022step_011_s_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP DEF2QZVP GEN-26981.8537413; Eh
thumbnail.jpeg11-Feb-2022step_007_tPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.66323766; Eh
thumbnail.jpeg11-Feb-2022step_015_tPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.66982023; Eh
thumbnail.jpeg11-Feb-2022step_010_tPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.66190373; Eh
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