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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_18 OH//m06l_molsimps/Co_31a_18/OH LS Co_31a_18_OH_LSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1591.1050398; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_14 OOH//m06l_molsimps/Co_31a_14/OOH LS Co_31a_14_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1989.5122301; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_14 VAC//m06l_molsimps/Co_31a_14/VAC HS Co_31a_14_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1838.5523945; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_14 OH//m06l_molsimps/Co_31a_14/OH LS Co_31a_14_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1914.3774185; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_15 OOH//m06l_molsimps/Co_31a_15/OOH LS Co_31a_15_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1835.8798499; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_15 OH//m06l_molsimps/Co_31a_15/OH LS Co_31a_15_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1760.74546; Eh
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