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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_28//m06l_molsimps/Ru_3a1_28 OH//m06l_molsimps/Ru_3a1_28/OH LS Ru_3a1_28_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1597.8728917; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_16//m06l_molsimps/Ru_3a1_16 OH//m06l_molsimps/Ru_3a1_16/OH LS Ru_3a1_16_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1847.1473527; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_oct_desorbed_5_//m06l_molsimps/Mn_oct_desorbed_5_ OOH//m06l_molsimps/Mn_oct_desorbed_5_/OOH HS Mn_oct_desorbed_5_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1776.550422; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_oct_desorbed_5_//m06l_molsimps/Mn_oct_desorbed_5_ OH//m06l_molsimps/Mn_oct_desorbed_5_/OH HS Mn_oct_desorbed_5_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1701.4200133; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_23//m06l_molsimps/Ni_3a1_23 OOH//m06l_molsimps/Ni_3a1_23/OOH LS Ni_3a1_23_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1653.7502753; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_23//m06l_molsimps/Ni_3a1_23 VAC//m06l_molsimps/Ni_3a1_23/VAC HS Ni_3a1_23_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1502.8173535; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_24//m06l_molsimps/Ru_3a1_24 VAC//m06l_molsimps/Ru_3a1_24/VAC LS Ru_3a1_24_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1273.7493343; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_23//m06l_molsimps/Ni_3a1_23 OH//m06l_molsimps/Ni_3a1_23/OH LS Ni_3a1_23_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1578.6157103; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_24//m06l_molsimps/Ru_3a1_24 OOH//m06l_molsimps/Ru_3a1_24/OOH LS Ru_3a1_24_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1424.7082369; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_24//m06l_molsimps/Ru_3a1_24 OH//m06l_molsimps/Ru_3a1_24/OH LS Ru_3a1_24_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1349.5771696; Eh
Results 541-550 of 644 (Search time: 0.002 seconds).