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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_3a1_17 OOH//m06l_molsimps/Co_3a1_17/OOH LS Co_3a1_17_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1819.8674913; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_3a1_17 OH//m06l_molsimps/Co_3a1_17/OH LS Co_3a1_17_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1744.7340515; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_3a1_19 OH//m06l_molsimps/Co_3a1_19/OH LS Co_3a1_19_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1740.0691248; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_19 OOH//m06l_molsimps/Co_31a_19/OOH LS Co_31a_19_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1815.2088884; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_20 OH//m06l_molsimps/Co_31a_20/OH LS Co_31a_20_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1724.0603893; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_19 VAC//m06l_molsimps/Co_31a_19/VAC HS Co_31a_19_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1664.252416; Eh
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