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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_10//m06l_molsimps/Ru_31a_10 VAC//m06l_molsimps/Ru_31a_10/VAC LS Ru_31a_10_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1657.9257703; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_10//m06l_molsimps/Ru_31a_10 OOH//m06l_molsimps/Ru_31a_10/OOH LS Ru_31a_10_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1808.9013023; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_4_//m06l_molsimps/Fe_31a_4_ VAC//m06l_molsimps/Fe_31a_4_/VAC HS Fe_31a_4_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1669.5589461; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_4_//m06l_molsimps/Fe_31a_4_ OH//m06l_molsimps/Fe_31a_4_/OH LS Fe_31a_4_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1745.3724756; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_2_//m06l_molsimps/Ru_3a1_2_ OOH//m06l_molsimps/Ru_3a1_2_/OOH LS Ru_3a1_2_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1806.946301; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_2_//m06l_molsimps/Ru_3a1_2_ VAC//m06l_molsimps/Ru_3a1_2_/VAC LS Ru_3a1_2_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1655.9945006; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_2_//m06l_molsimps/Ru_3a1_2_ OH//m06l_molsimps/Ru_3a1_2_/OH LS Ru_3a1_2_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1731.8141869; Eh
Results 551-557 of 557 (Search time: 0.002 seconds).