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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_7_//m06l_molsimps/Ru_31a_7_ OOH//m06l_molsimps/Ru_31a_7_/OOH LS Ru_31a_7_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1840.9255565; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_7_//m06l_molsimps/Ru_31a_7_ VAC//m06l_molsimps/Ru_31a_7_/VAC LS Ru_31a_7_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1689.9612741; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_7_//m06l_molsimps/Ru_31a_7_ OH//m06l_molsimps/Ru_31a_7_/OH LS Ru_31a_7_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1765.789487; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_12//m06l_molsimps/Ru_31a_12 OOH//m06l_molsimps/Ru_31a_12/OOH LS Ru_31a_12_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1501.6406; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_30//m06l_molsimps/Ru_3a1_30 OOH//m06l_molsimps/Ru_3a1_30/OOH LS Ru_3a1_30_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1365.7423744; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_32a_33//m06l_molsimps/Cr_32a_33 OH//m06l_molsimps/Cr_32a_33/OH HS Cr_32a_33_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1563.2890801; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_6_//m06l_molsimps/Ru_31a_6_ OOH//m06l_molsimps/Ru_31a_6_/OOH LS Ru_31a_6_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1483.6675857; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_6_//m06l_molsimps/Ru_31a_6_ VAC//m06l_molsimps/Ru_31a_6_/VAC LS Ru_31a_6_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1332.7147716; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_6_//m06l_molsimps/Ru_31a_6_ OH//m06l_molsimps/Ru_31a_6_/OH LS Ru_31a_6_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1408.5331167; Eh
Results 111-120 of 565 (Search time: 0.002 seconds).