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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_18//m06l_molsimps/Ru_31a_18 OOH//m06l_molsimps/Ru_31a_18/OOH LS Ru_31a_18_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1615.0198755; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_18//m06l_molsimps/Ru_31a_18 OH//m06l_molsimps/Ru_31a_18/OH LS Ru_31a_18_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1539.8876628; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_oct_desorbed_1_ Ru_pbp_1_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1801.1699285; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_30 VAC//m06l_molsimps/Co_31a_30/VAC HS Co_31a_30_VAC_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1266.0125239; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_30 OOH//m06l_molsimps/Co_31a_30/OOH LS Co_31a_30_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1416.9588127; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_26 VAC//m06l_molsimps/Co_31a_26/VAC HS Co_31a_26_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1589.2702956; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_5_ OOH//m06l_molsimps/Co_31a_5_/OOH LS Co_31a_5_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1688.5156102; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_3_ OOH//m06l_molsimps/Co_31a_3_/OOH LS Co_31a_3_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1704.522895; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_30 OH//m06l_molsimps/Co_31a_30/OH LS Co_31a_30_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1341.8258208; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_31a_3_ VAC//m06l_molsimps/Co_31a_3_/VAC HS Co_31a_3_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1553.5590483; Eh
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